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Regex Pattern / motif 13 results

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13 results for Pattern / motif query

Cards

Pattern / motif 13 results DB fairmol

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Query interpretation

Pattern registry Vnos: thioester Thioester

Select ID 390 DB fairmol

OHD_Leishmania_29

ID 390

C/C(=C(/CCOP(=O)(O)O)SC(=O)c1ccccc1)N(C=O)Cc1cnc(C)nc1N

Formula: C19H23N4O6PS

MW: 466.46 | LogP: 2.63

TPSA: 155.94

Patterns:

Thioester

Detail

Select ID 715 DB fairmol

Z27116094

ID 715

CSc1cccc(N2C[C@@H](C(=O)NCCN3C(=O)S/C(=C\c4cccnc4)C3=O)CC2=O)c1

Formula: C23H22N4O4S2

MW: 482.59 | LogP: 3.01

TPSA: 99.68

Patterns:

Thioester

Detail

Select ID 1060 DB fairmol

Z27116094

ID 1060

CSc1cccc(N2C[C@@H](C(=O)NCCN3C(=O)S/C(=C/c4cccnc4)C3=O)CC2=O)c1

Formula: C23H22N4O4S2

MW: 482.59 | LogP: 3.01

TPSA: 99.68

Patterns:

Thioester

Detail

Select ID 1197 DB fairmol

OHD_Leishmania_29

ID 1197

C/C(=C(\CCOP(=O)(O)O)SC(=O)c1ccccc1)N(C=O)Cc1c[nH+]c(C)nc1N

Formula: C19H24N4O6PS+

MW: 467.46 | LogP: 2.05

TPSA: 157.19

Patterns:

Thioester

Detail

Select ID 1341 DB fairmol

Z56811592

ID 1341

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:

Thioester

Detail

Select ID 1807 DB fairmol

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:

Thioester

Detail

Select ID 1847 DB fairmol

Z24624059

ID 1847

Cc1c(C(=O)OCC(=O)NCCN2C(=O)CSC2=O)oc2c1ccc1ccccc12

Formula: C21H18N2O6S

MW: 426.45 | LogP: 2.86

TPSA: 105.92

Patterns:

Thioester

Detail

Select ID 1974 DB fairmol

Z27116094

ID 1974

CSc1cccc(N2C[C@H](C(=O)NCCN3C(=O)S/C(=C\c4cccnc4)C3=O)CC2=O)c1

Formula: C23H22N4O4S2

MW: 482.59 | LogP: 3.01

TPSA: 99.68

Patterns:

Thioester

Detail

Select ID 2439 DB fairmol

Z27652139

ID 2439

COc1ccc(/C=C2/SC(=O)N(CCNC(=O)[C@H]3C[C@@H]4C=C[C@H]3C4)C2=O)cc1

Formula: C21H22N2O4S

MW: 398.48 | LogP: 3.06

TPSA: 75.71

Patterns:

Thioester

Detail

Select ID 2440 DB fairmol

Z1541759905

ID 2440

CN(CCOc1ccc(C[C@@H]2SC(=O)NC2=O)cc1)c1ccccn1

Formula: C18H19N3O3S

MW: 357.44 | LogP: 2.49

TPSA: 71.53

Patterns:

Thioester

Detail

Select ID 4076 DB fairmol

OHD_Leishmania_29

ID 4076

C/C(=C(\CCOP(=O)(O)O)SC(=O)c1ccccc1)N(C=O)Cc1cnc(C)nc1N

Formula: C19H23N4O6PS

MW: 466.46 | LogP: 2.63

TPSA: 155.94

Patterns:

Thioester

Detail

Select ID 4616 DB fairmol

OHD_Leishmania_29

ID 4616

C/C(=C(/CCOP(=O)(O)O)SC(=O)c1ccccc1)N(C=O)Cc1c[nH+]c(C)nc1N

Formula: C19H24N4O6PS+

MW: 467.46 | LogP: 2.05

TPSA: 157.19

Patterns:

Thioester

Detail

Select ID 5438 DB fairmol

Z2232931715

ID 5438

COc1cc(/C=C2/SC(=O)NC2=O)ccc1Oc1ccc(C#N)cc1C(F)(F)F

Formula: C19H11F3N2O4S

MW: 420.37 | LogP: 4.70

TPSA: 88.42

Patterns:

Thioester

Detail