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Jasen preklop med dedupliciranimi compounds in posameznimi samples.

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Compounds 144 Samples 0

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Regex Pattern / motif 59 results

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59 results for Pattern / motif query

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Pattern / motif 59 results DB demo

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Query interpretation

Pattern registry Vnos: secondary_amine Secondary amine

Select ID 2 DB demo

Z20253414

ID 2

Cn1c(SCC(=O)NC(=O)NCc2ccco2)nnc1-c1ccccc1

Formula: C17H17N5O3S

MW: 371.42 | LogP: 2.19

TPSA: 102.05

Patterns:

Secondary amine

Detail

Select ID 78 DB demo

TC490

ID 78

Cc1cc(C)c2c(c1C)O[C@@](C)(c1cn(CCc3cc(O)cc(O)c3)nn1)CN2

Formula: C22H26N4O3

MW: 394.48 | LogP: 3.58

TPSA: 92.43

Patterns:

Secondary amine

Detail

Select ID 83 DB demo

KB_HAT_125

ID 83

Cc1cnc(Nc2cc(Cc3ccccc3)nc(N[C@H]3CC[C@H](O)CC3)n2)s1

Formula: C21H25N5OS

MW: 395.53 | LogP: 4.29

TPSA: 82.96

Patterns:

Secondary amine

Detail

Select ID 93 DB demo

NMT-TY0612

ID 93

CC(=O)Nc1ccc(S(=O)(=O)Nc2c(N)[nH]c(SCCc3ccccc3)nc2=O)cc1

Formula: C20H21N5O4S2

MW: 459.55 | LogP: 2.45

TPSA: 147.04

Patterns:

Secondary amine

Detail

Select ID 110 DB demo

KB_HAT_118

ID 110

NC(=O)c1ncc(N[C@@H]2CCC[NH2+]C2)nc1Nc1cccc(Cl)c1

Formula: C16H20ClN6O+

MW: 347.83 | LogP: 1.11

TPSA: 109.54

Patterns:

Secondary amine

Detail

Select ID 128 DB demo

Z151832316

ID 128

Oc1nc(CSc2nnc(NC[C@H]3CCCO3)s2)nc2sc(-c3ccccc3)cc12

Formula: C20H19N5O2S3

MW: 457.61 | LogP: 4.80

TPSA: 93.05

Patterns:

Secondary amine

Detail

Select ID 291 DB demo

Z19316134

ID 291

Cc1ccc(NC(=O)CSc2ncnc3ccccc23)cc1S(=O)(=O)N1CCOCC1

Formula: C21H22N4O4S2

MW: 458.57 | LogP: 2.69

TPSA: 101.49

Patterns:

Secondary amine

Detail

Select ID 326 DB demo

NMT-TY0616

ID 326

CC(=O)Nc1ccc(S(=O)(=O)Nc2c(N)nc(SC3CCCC3)[nH]c2=O)cc1

Formula: C17H21N5O4S2

MW: 423.52 | LogP: 2.15

TPSA: 147.04

Patterns:

Secondary amine

Detail

Select ID 388 DB demo

KB_HAT_138

ID 388

CS(=O)(=O)c1ccc(Nc2nccc(Nc3n[nH]c4ccc(F)cc34)n2)c(F)c1

Formula: C18H14F2N6O2S

MW: 416.41 | LogP: 3.52

TPSA: 112.66

Patterns:

Secondary amine

Detail

Select ID 423 DB demo

OHD_MAC_47

ID 423

COc1ccc(/C=N/Nc2ncnc3c(Nc4ccc(OCCCO)cc4)ncnc23)cc1O

Formula: C23H23N7O4

MW: 461.48 | LogP: 3.08

TPSA: 146.90

Patterns:

Secondary amine

Detail

Select ID 455 DB demo

Z27504791

ID 455

C[C@@H](NC(=O)CCc1nc2ccccc2c(=O)[nH]1)c1ccc(S(N)(=O)=O)cc1

Formula: C19H20N4O4S

MW: 400.46 | LogP: 1.38

TPSA: 135.01

Patterns:

Secondary amine

Detail

Select ID 586 DB demo

Z32377576

ID 586

NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)cc1

Formula: C15H16ClN3O5S2

MW: 417.90 | LogP: 0.61

TPSA: 149.42

Patterns:

Secondary amine

Detail

Select ID 589 DB demo

OHD_MAC_49

ID 589

OCCCOc1ccc(Nc2ncnc3c(N/N=C/c4ccc(O)c(O)c4)ncnc23)cc1

Formula: C22H21N7O4

MW: 447.46 | LogP: 2.78

TPSA: 157.90

Patterns:

Secondary amine

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:

Secondary amine

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:

Secondary amine

Detail

Select ID 1140 DB demo

Z30002984

ID 1140

O=C(Nc1cccc(S(=O)(=O)NCc2ccco2)c1)c1cc(-c2ccc(F)cc2)nc2ccccc12

Formula: C27H20FN3O4S

MW: 501.54 | LogP: 5.36

TPSA: 101.30

Patterns:

Secondary amine

Detail

Select ID 1266 DB demo

Z44426342

ID 1266

Cc1ccc(NC(=O)c2cc(C(=O)c3cc(Cl)ccc3O)cn(-c3ccc(C)cc3C)c2=O)c(C)c1

Formula: C29H25ClN2O4

MW: 500.98 | LogP: 5.91

TPSA: 88.40

Patterns:

Secondary amine

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:

Secondary amine

Detail

Select ID 1429 DB demo

OHD_TB2022_27

ID 1429

CCS(=O)(=O)N(C)c1cccc(NC(=O)c2cccc(C(N)=[NH2+])c2)c1OCc1ccc(C(N)=[NH2+])cc1

Formula: C25H30N6O4S+2

MW: 510.62 | LogP: -0.77

TPSA: 178.93

Patterns:

Secondary amine

Detail

Select ID 1599 DB demo

Z334929348

ID 1599

NS(=O)(=O)c1ccc(NCc2cc(Cl)cc(Cl)c2O)cc1

Formula: C13H12Cl2N2O3S

MW: 347.22 | LogP: 2.96

TPSA: 92.42

Patterns:

Secondary amine

Detail

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