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Regex Pattern / motif 81 results

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81 results for Pattern / motif query

Cards

Pattern / motif 81 results DB fairmol

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Query interpretation

Pattern registry Vnos: thioamide Thioamide

Select ID 1 DB fairmol

OHD_TC2_31

ID 1

NC(=S)N/N=C/c1ccc(-c2ccc(Br)cc2Cl)o1

Formula: C12H9BrClN3OS

MW: 358.65 | LogP: 3.53

TPSA: 63.55

Patterns:

Thioamide

Detail

Select ID 12 DB fairmol

Z45901653

ID 12

O=S(=O)(c1ccc(Br)cc1Cl)N1CCN(C(=S)NCc2ccccc2)CC1

Formula: C18H19BrClN3O2S2

MW: 488.86 | LogP: 3.48

TPSA: 52.65

Patterns:

Thioamide

Detail

Select ID 114 DB fairmol

OHD_Leishmania_482

ID 114

NC(=S)N/N=C(\C=C\c1cccnc1)c1cccc(NC(=O)Nc2ccc(Cl)cc2)c1

Formula: C22H19ClN6OS

MW: 450.96 | LogP: 4.63

TPSA: 104.43

Patterns:

Thioamide

Detail

Select ID 142 DB fairmol

Z56893343

ID 142

COc1cc(C(=O)NC(=S)N(CCc2ccccc2)CCc2ccccc2)cc(OC)c1OC

Formula: C27H30N2O4S

MW: 478.61 | LogP: 4.51

TPSA: 60.03

Patterns:

Thioamide

Detail

Select ID 311 DB fairmol

Z56071437

ID 311

Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(NC(=S)NC(=O)C3CCCCC3)c2)cc1Cl

Formula: C21H23Cl2N3O3S2

MW: 500.47 | LogP: 5.50

TPSA: 87.30

Patterns:

Thioamide

Detail

Select ID 419 DB fairmol

OHD_DCM_37

ID 419

O=[N+](O)c1ccc(NNC(=S)NCc2cccc3ccccc23)cc1

Formula: C18H17N4O2S+

MW: 353.43 | LogP: 3.63

TPSA: 76.40

Patterns:

Thioamide

Detail

Select ID 469 DB fairmol

OHD_Leishmania_481

ID 469

NC(=S)N/N=C(\C=C\c1cccc(O)c1)c1cccc(NC(=O)Nc2ccc(Cl)cc2)c1

Formula: C23H20ClN5O2S

MW: 465.97 | LogP: 4.94

TPSA: 111.77

Patterns:

Thioamide

Detail

Select ID 827 DB fairmol

Z56958949

ID 827

O=C(CN1C(=O)/C(=C2\SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)c2ccccc21)Nc1ccccc1

Formula: C23H19N3O5S3

MW: 513.62 | LogP: 2.43

TPSA: 103.86

Patterns:

Thioamide

Detail

Select ID 959 DB fairmol

MK178

ID 959

NC(=S)c1ccc(OCCN2CCN(c3ncnc4[nH]cnc34)CC2)cc1

Formula: C18H21N7OS

MW: 383.48 | LogP: 1.19

TPSA: 96.19

Patterns:

Thioamide

Detail

Select ID 960 DB fairmol

Z56826892

ID 960

Cc1ccc(NC(=S)NC(=O)c2ccc(F)cc2)cc1S(=O)(=O)Nc1cccc(Cl)c1

Formula: C21H17ClFN3O3S2

MW: 477.97 | LogP: 4.72

TPSA: 87.30

Patterns:

Thioamide

Detail

Select ID 1051 DB fairmol

Z47741866

ID 1051

COc1ccc(NC(=O)C2=C(C)NC(=S)N[C@H]2c2ccc(O)cc2)cc1

Formula: C19H19N3O3S

MW: 369.45 | LogP: 2.83

TPSA: 82.62

Patterns:

Thioamide

Detail

Select ID 1245 DB fairmol

MK178

ID 1245

NC(=S)c1ccc(OCC[NH+]2CCN(c3ncnc4[nH]cnc34)CC2)cc1

Formula: C18H22N7OS+

MW: 384.49 | LogP: -0.23

TPSA: 97.39

Patterns:

Thioamide

Detail

Select ID 1305 DB fairmol

OHD_TB2020_27

ID 1305

O=C(N[C@H](/C=C/S(=O)(=O)c1ccccc1)CCCCNS(=O)(=O)c1cccc2ccccc12)[C@H](Cc1ccccc1)NC(=S)Nc1ccccc1

Formula: C39H40N4O5S3

MW: 740.97 | LogP: 6.36

TPSA: 133.47

Patterns:

Thioamide

Detail

Select ID 1349 DB fairmol

TC268

ID 1349

C[C@]12CC[C@H](O)CC1=C/C(=N/OCC(=O)NCCOCCOCCNC(=S)Nc1ccc3c(c1)C(=O)OC31c3ccc(O)cc3Oc3cc(O)ccc31)[C@H]1[C@H]3CC[C@@]4(O[C@@H]4CO)[C@@]3(C)CC[C@@H]12

Formula: C50H58N4O12S

MW: 939.10 | LogP: 5.54

TPSA: 222.19

Patterns:

Thioamide

Detail

Select ID 1354 DB fairmol

MK168

ID 1354

Cc1ccc(C(=O)Oc2ccc(C(N)=S)cc2)cc1-c1cn(C[C@]23C[C@H]4C[C@H](C[C@H](C4)C2)C3)nn1

Formula: C28H30N4O2S

MW: 486.64 | LogP: 5.32

TPSA: 83.03

Patterns:

Thioamide

Detail

Select ID 1445 DB fairmol

OHD_TB2020_28

ID 1445

O=C(N[C@H](/C=C/S(=O)(=O)c1ccccc1)CCCCNS(=O)(=O)c1cccc2ccccc12)[C@H](Cc1ccccc1)NC(=S)Nc1ccc(C(F)(F)F)cc1

Formula: C40H39F3N4O5S3

MW: 808.97 | LogP: 7.38

TPSA: 133.47

Patterns:

Thioamide

Detail

Select ID 1493 DB fairmol

ulfkktlib_2967

ID 1493

NC(=S)Nc1cnccn1

Formula: C5H6N4S

MW: 154.20 | LogP: 0.13

TPSA: 63.83

Patterns:

Thioamide

Detail

Select ID 1505 DB fairmol

OHD_TC2_32

ID 1505

NC(=S)N/N=C/c1ccc(-c2ccc(Cl)cc2)o1

Formula: C12H10ClN3OS

MW: 279.75 | LogP: 2.77

TPSA: 63.55

Patterns:

Thioamide

Detail

Select ID 1557 DB fairmol

Z45884652

ID 1557

S=C(NCc1ccccc1)NC[C@@H]1COc2ccccc2O1

Formula: C17H18N2O2S

MW: 314.41 | LogP: 2.49

TPSA: 42.52

Patterns:

Thioamide

Detail

Select ID 1600 DB fairmol

NMT-TY0324

ID 1600

OC1=NC(=S)N[C@@H]2NC(=S)N[C@@H]12

Formula: C5H6N4OS2

MW: 202.26 | LogP: -1.00

TPSA: 68.68

Patterns:

Thioamide

Detail

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