Compounds

Library browser

Jasen preklop med dedupliciranimi compounds in posameznimi samples.

Open analysis

Compounds 144 Samples 0

Search Workspace

Chemical search

Build a query, refine the result set, and sketch a structure without leaving the page.

Regex Pattern / motif 22 results

Clear

Query

Treat text query as regular expression

Mode

Sort

Per page

Similarity threshold

Threshold 0.50

Properties

MW min

MW max

LogP min

LogP max

TPSA min

TPSA max

Property fields regex

Reset all

Results

22 results for Pattern / motif query

Cards

Pattern / motif 22 results DB demo

Selected 0 Select all on page Select all results

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: primary_amine Primary amine

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:

Primary 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:

Primary 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:

Primary amine

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:

Primary amine

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:

Primary amine

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:

Primary amine

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:

Primary amine

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:

Primary 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:

Primary 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:

Primary amine

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:

Primary amine

Detail

Select ID 1588 DB demo

NMT-TY0834

ID 1588

C=CCSc1nc(N)c(N)c(=O)[nH]1

Formula: C7H10N4OS

MW: 198.25 | LogP: 0.21

TPSA: 97.79

Patterns:

Primary amine

Detail

Select ID 1625 DB demo

NMT-TY0562

ID 1625

CC(=O)Nc1ccc(S(=O)(=O)Nc2cnc(N)nc2N)cc1

Formula: C12H14N6O3S

MW: 322.35 | LogP: 0.40

TPSA: 153.09

Patterns:

Primary amine

Detail

Select ID 1807 DB demo

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:

Primary amine

Detail

Select ID 1976 DB demo

OHD_TB2021_16

ID 1976

Nc1ncnc2c1c(I)cn2[C@@H]1O[C@H](CO)[C@@H](F)[C@H]1O

Formula: C11H12FIN4O3

MW: 394.14 | LogP: 0.21

TPSA: 106.42

Patterns:

Primary amine

Detail

Select ID 2011 DB demo

NMT-TY0141

ID 2011

Nc1nc2n(c(=O)c1N)C[C@H](O)CS2

Formula: C7H10N4O2S

MW: 214.25 | LogP: -1.13

TPSA: 107.16

Patterns:

Primary amine

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:

Primary amine

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:

Primary amine

Detail

Select ID 2295 DB demo

Z56775819

ID 2295

N#Cc1c(N)n(-c2cccc(S(N)(=O)=O)c2)c2nc3ccccc3nc12

Formula: C17H12N6O2S

MW: 364.39 | LogP: 1.67

TPSA: 140.68

Patterns:

Primary amine

Detail

Select ID 3836 DB demo

OHD_Babesia_21

ID 3836

COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)[C@H](O[C@H]1C[C@H](N)[C@H](O)[C@@H](C)O1)C[C@@](O)(C(=O)CO)C3

Formula: C27H29NO11

MW: 543.53 | LogP: 0.00

TPSA: 206.07

Patterns:

Primary amine

Detail

Page 1 / 2