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Jasen preklop med dedupliciranimi compounds in posameznimi samples.

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Regex Pattern / motif 26 results

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26 results for Pattern / motif query

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Pattern / motif 26 results DB demo

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Global compound selection stays available across the browser. Save selected compounds into analysis sets A / B / C, then use union, intersection or negation in the Analysis selection workbench.

Query interpretation

Pattern registry Vnos: pgp_flag P-gp efflux flag

Select ID 219 DB demo

Z29514151

ID 219

Cc1ccc2c(CC(=O)N3CCN(S(=O)(=O)c4ccc5c(c4)OCCO5)CC3)coc2c1

Formula: C23H24N2O6S

MW: 456.52 | LogP: 2.59

TPSA: 89.29

Patterns:

P-gp efflux flag

Detail

Select ID 554 DB demo

KB_Leish_39

ID 554

CC[N@@H+](Cc1nc2ccc(C(=O)N3CCN(c4ncccn4)CC3)cc2[nH]1)[C@H]1CCCc2cccnc21

Formula: C28H33N8O+

MW: 497.63 | LogP: 2.19

TPSA: 95.34

Patterns:

P-gp efflux flag

Detail

Select ID 703 DB demo

OHD_Leishmania_257

ID 703

C[NH2+]CCNC(=O)CN1C(=O)Cc2c([nH]c3ccc(Cl)cc23)-c2ccc(Cl)cc21

Formula: C21H21Cl2N4O2+

MW: 432.33 | LogP: 2.34

TPSA: 81.81

Patterns:

P-gp efflux flag

Detail

Select ID 710 DB demo

Z79567126

ID 710

Cc1sc2ncnc(N3CCC(C(=O)NCc4ccc(S(N)(=O)=O)cc4)CC3)c2c1C

Formula: C21H25N5O3S2

MW: 459.60 | LogP: 2.49

TPSA: 118.28

Patterns:

P-gp efflux flag

Detail

Select ID 983 DB demo

KB_Leish_34

ID 983

COc1ccc(Oc2ccc([C@@H](C)N(C)c3ncc4c(N)nc(N)[nH+]c4n3)cc2)cc1

Formula: C22H24N7O2+

MW: 418.48 | LogP: 3.00

TPSA: 126.55

Patterns:

P-gp efflux flag

Detail

Select ID 1095 DB demo

Z49605162

ID 1095

O=C(N/N=C/c1sc(N2CCOCC2)nc1-c1ccccc1)c1cccc(S(=O)(=O)N2CCCC2)c1

Formula: C25H27N5O4S2

MW: 525.66 | LogP: 3.20

TPSA: 104.20

Patterns:

P-gp efflux flag

Detail

Select ID 1121 DB demo

Z16382399

ID 1121

CCN(C(=O)CSc1ncnc2c1cnn2-c1ccccc1)[C@H]1CCS(=O)(=O)C1

Formula: C19H21N5O3S2

MW: 431.54 | LogP: 1.94

TPSA: 98.05

Patterns:

P-gp efflux flag

Detail

Select ID 1350 DB demo

KB_HAT_98

ID 1350

Cc1cc2nc(N3CC[C@H]3C(N)=O)nc(Nc3cc(C4CC4)[nH]n3)c2s1

Formula: C17H19N7OS

MW: 369.45 | LogP: 2.41

TPSA: 112.82

Patterns:

P-gp efflux flag

Detail

Select ID 1375 DB demo

Z49643066

ID 1375

Cc1ccc(NS(=O)(=O)c2cc([N+](=O)O)ccc2N/N=C/c2sc(N3CCOCC3)nc2-c2ccccc2)c(C)c1

Formula: C28H29N6O5S2+

MW: 593.71 | LogP: 5.31

TPSA: 136.23

Patterns:

P-gp efflux flag

Detail

Select ID 1805 DB demo

KB_HAT_192

ID 1805

O=[S@@]1N=C(NCCCN(Cc2ccc(F)cc2)c2ccccn2)/C(=N/Cc2ccncc2)N1

Formula: C23H24FN7OS

MW: 465.56 | LogP: 2.78

TPSA: 94.87

Patterns:

P-gp efflux flag

Detail

Select ID 1807 DB demo

Z56811592

ID 1807

CN(C)c1ccc(/C=C2\SC(=O)N(CCc3nnc(N)s3)C2=O)cc1

Formula: C16H17N5O2S2

MW: 375.48 | LogP: 2.47

TPSA: 92.42

Patterns:

P-gp efflux flag

Detail

Select ID 1929 DB demo

Z31287542

ID 1929

O=C1/C(=C\N/N=C(\O)[C@H]2COc3ccccc3O2)c2ccccc2C(=O)N1c1ccccc1Cl

Formula: C25H18ClN3O5

MW: 475.89 | LogP: 4.17

TPSA: 100.46

Patterns:

P-gp efflux flag

Detail

Select ID 2301 DB demo

Z1980898745

ID 2301

OC[C@H]1O[C@@H](n2cnc3c(N4CCc5ccccc54)ncnc32)[C@H](O)[C@@H]1O

Formula: C18H19N5O4

MW: 369.38 | LogP: 0.13

TPSA: 116.76

Patterns:

P-gp efflux flag

Detail

Select ID 2876 DB demo

Z166606608

ID 2876

O=C1CCC(=O)N1c1cc(Cc2[nH+]nc(O)c3ccccc23)ccc1F

Formula: C19H15FN3O3+

MW: 352.35 | LogP: 2.14

TPSA: 84.64

Patterns:

P-gp efflux flag

Detail

Select ID 3052 DB demo

KB_chagas_52

ID 3052

COc1ccc2nccc([C@H](O)CN3CC[C@H](NC(=O)c4ccc(Br)cc4)[C@@H](O)C3)c2n1

Formula: C23H25BrN4O4

MW: 501.38 | LogP: 2.30

TPSA: 107.81

Patterns:

P-gp efflux flag

Detail

Select ID 3099 DB demo

Z28652141

ID 3099

O=C(Nc1nnc(SCc2ccc(F)cc2)s1)c1ccc2c(c1)C(=O)N(c1ccccc1Cl)C2=O

Formula: C24H14ClFN4O3S2

MW: 524.99 | LogP: 5.68

TPSA: 92.26

Patterns:

P-gp efflux flag

Detail

Select ID 3617 DB demo

OSA_Lib_227

ID 3617

C[NH+]1CCN(CCC[N@@H+]2CC[C@]3([NH+]4CCCC4)C[C@H](c4ccccc4)[C@H]2[C@@H](c2ccccc2)C3)CC1

Formula: C32H49N4+3

MW: 489.77 | LogP: 0.64

TPSA: 16.56

Patterns:

P-gp efflux flag

Detail

Select ID 3778 DB demo

MK15

ID 3778

Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)NCC[NH+]1CCN(C(=O)/C=C/c3ccc(O)c(O)c3)CC1)O2

Formula: C29H38N3O6+

MW: 524.64 | LogP: 1.37

TPSA: 123.77

Patterns:

P-gp efflux flag

Detail

Select ID 3794 DB demo

Z95963339

ID 3794

C[C@@H](c1ccccc1)N(C)C(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1

Formula: C22H22N2O3S

MW: 394.50 | LogP: 4.32

TPSA: 66.48

Patterns:

P-gp efflux flag

Detail

Select ID 4796 DB demo

OSA_Lib_223

ID 4796

CN1CC[NH+]([C@]23C[C@H](NC(=O)CCN4CC[NH+](C)CC4)[C@H]([C@@H](c4ccccc4)C2)[C@H](c2ccccc2)C3)CC1

Formula: C33H49N5O+2

MW: 531.79 | LogP: 0.64

TPSA: 44.46

Patterns:

P-gp efflux flag

Detail

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