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Regex Pattern / motif 29 results

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29 results for Pattern / motif query

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Pattern / motif 29 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.

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Pattern registry Vnos: imine Imine

Select ID 42 DB demo

Z49724748

ID 42

Cc1cc(SCC(=O)N/N=C\c2ccc(O)c(O)c2O)c(C)cc1Br

Formula: C17H17BrN2O4S

MW: 425.30 | LogP: 3.43

TPSA: 102.15

Patterns:

Imine

Detail

Select ID 386 DB demo

Z44847963

ID 386

O/C(=N\N=C/c1ccc(O)c(O)c1)c1ccc(CSc2cccc3cccnc23)cc1

Formula: C24H19N3O3S

MW: 429.50 | LogP: 5.28

TPSA: 98.30

Patterns:

Imine

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:

Imine

Detail

Select ID 558 DB demo

OHD_Leishmania_480

ID 558

O=C(c1cccnc1)N1N=C(c2cccc(NS(=O)(=O)c3cc(Cl)ccc3Cl)c2)C[C@@H]1c1cccnc1

Formula: C26H19Cl2N5O3S

MW: 552.44 | LogP: 5.58

TPSA: 104.62

Patterns:

Imine

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:

Imine

Detail

Select ID 1072 DB demo

Z275022778

ID 1072

Cc1ccc(-c2csc3nnc(SC/C(O)=N/c4nsc(-c5ccccc5)n4)n23)cc1

Formula: C21H16N6OS3

MW: 464.60 | LogP: 5.67

TPSA: 88.56

Patterns:

Imine

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:

Imine

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:

Imine

Detail

Select ID 1399 DB demo

OHD_TC1_194

ID 1399

COc1ccc(C2=NN(C3CCN(S(=O)(=O)c4cccc5cccnc45)CC3)C(=O)[C@@H]3CC=CC[C@H]23)cc1OC

Formula: C30H32N4O5S

MW: 560.68 | LogP: 4.23

TPSA: 101.40

Patterns:

Imine

Detail

Select ID 1519 DB demo

Z27167190

ID 1519

O/C(Cc1c[nH]c2ccccc12)=N\c1nnc(C2CC2)s1

Formula: C15H14N4OS

MW: 298.37 | LogP: 3.73

TPSA: 74.16

Patterns:

Imine

Detail

Select ID 1671 DB demo

Z54323248

ID 1671

O=C(N/N=C/c1ccc([N+](=O)O)o1)c1ccc(NS(=O)(=O)c2cccs2)cc1

Formula: C16H13N4O6S2+

MW: 421.44 | LogP: 2.71

TPSA: 141.08

Patterns:

Imine

Detail

Select ID 1726 DB demo

Z49719002

ID 1726

Oc1ccc(/C=N/Nc2ccc(Cl)nn2)c(O)c1O

Formula: C11H9ClN4O3

MW: 280.67 | LogP: 1.69

TPSA: 110.86

Patterns:

Imine

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:

Imine

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:

Imine

Detail

Select ID 2111 DB demo

Z275145784

ID 2111

Nc1nonc1/C(O)=N/N=C1/c2ccccc2-c2nc3nonc3nc21

Formula: C14H7N9O3

MW: 349.27 | LogP: 0.72

TPSA: 174.59

Patterns:

Imine

Detail

Select ID 2246 DB demo

Z49576389

ID 2246

NS(=O)(=O)c1ccc(N/N=C/c2cn(-c3ccccc3)nc2-c2cccs2)c([N+](=O)O)c1

Formula: C20H17N6O4S2+

MW: 469.53 | LogP: 3.49

TPSA: 142.68

Patterns:

Imine

Detail

Select ID 2283 DB demo

NMT-TY0545

ID 2283

Nc1nc(N)c(NC/C(O)=N/S(=O)(=O)c2ccc([N+](=O)O)cc2)c(=O)[nH]1

Formula: C12H14N7O6S+

MW: 384.35 | LogP: -0.51

TPSA: 216.86

Patterns:

Imine

Detail

Select ID 2284 DB demo

Z275024592

ID 2284

O/C(CSc1nnc2scc(-c3ccccc3)n12)=N\c1nsc(-c2ccccc2)n1

Formula: C20H14N6OS3

MW: 450.57 | LogP: 5.36

TPSA: 88.56

Patterns:

Imine

Detail

Select ID 2288 DB demo

Z49894309

ID 2288

COc1ccc(/C=N\Nc2ncnc3sc4c(c23)CCCC4)cc1O

Formula: C18H18N4O2S

MW: 354.44 | LogP: 3.73

TPSA: 79.63

Patterns:

Imine

Detail

Select ID 2687 DB demo

Z49610429

ID 2687

COc1cc(/C=N\NS(=O)(=O)c2ccc(C)c([N+](=O)O)c2)ccc1O

Formula: C15H16N3O6S+

MW: 366.38 | LogP: 1.82

TPSA: 128.30

Patterns:

Imine

Detail

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