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Regex Pattern / motif 52 results

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52 results for Pattern / motif query

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Pattern / motif 52 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: ionizable_base Ionizable base

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:

Ionizable base

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:

Ionizable base

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:

Ionizable base

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:

Ionizable base

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:

Ionizable base

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:

Ionizable base

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:

Ionizable base

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:

Ionizable base

Detail

Select ID 462 DB demo

NMT-TY0406

ID 462

CSc1nc(=O)c(NS(=O)(=O)c2ccc(N)cc2)c(N)[nH]1

Formula: C11H13N5O3S2

MW: 327.39 | LogP: 0.46

TPSA: 143.96

Patterns:

Ionizable base

Detail

Select ID 524 DB demo

NMT-TY0622

ID 524

[H]/N=c1/[nH]c(SC2CCCC2)nc(O)c1NS(=O)(=O)c1ccc(N)cc1

Formula: C15H19N5O3S2

MW: 381.48 | LogP: 2.01

TPSA: 144.95

Patterns:

Ionizable base

Detail

Select ID 580 DB demo

Z55185189

ID 580

Cn1cnnc1SCc1ccc(C(=O)n2ncc(C#N)c2N)cc1

Formula: C15H13N7OS

MW: 339.38 | LogP: 1.45

TPSA: 115.41

Patterns:

Ionizable base

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:

Ionizable base

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:

Ionizable base

Detail

Select ID 990 DB demo

OHD_TB2021_32

ID 990

CC(C)[C@H](COCP(=O)(O)O)n1cnc2c(N)ncnc21

Formula: C11H18N5O4P

MW: 315.27 | LogP: 0.76

TPSA: 136.38

Patterns:

Ionizable base

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:

Ionizable base

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:

Ionizable base

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:

Ionizable base

Detail

Select ID 1499 DB demo

ulfkktlib_3276

ID 1499

Cc1cc(Cl)nnc1N

Formula: C5H6ClN3

MW: 143.58 | LogP: 1.02

TPSA: 51.80

Patterns:

Ionizable base

Detail

Select ID 1504 DB demo

Z55982019

ID 1504

Nn1c(COc2ccc(Cl)cc2)n[nH]c1=S

Formula: C9H9ClN4OS

MW: 256.72 | LogP: 1.89

TPSA: 68.86

Patterns:

Ionizable base

Detail

Select ID 1524 DB demo

ulfkktlib_1198

ID 1524

Cc1cc(NN)nnc1Cl

Formula: C5H7ClN4

MW: 158.59 | LogP: 0.72

TPSA: 63.83

Patterns:

Ionizable base

Detail

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