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Jasen preklop med dedupliciranimi compounds in posameznimi samples.

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Regex Pattern / motif 15 results

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15 results for Pattern / motif query

Cards

Pattern / motif 15 results DB fairmol

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Query interpretation

Pattern registry Vnos: triazine Triazine

Select ID 129 DB fairmol

Z135082068

ID 129

Cc1ccc(Nc2nc(N)nc(CS[C@@H](C)C(=O)NCc3ccccc3Cl)n2)cc1

Formula: C21H23ClN6OS

MW: 442.98 | LogP: 4.10

TPSA: 105.82

Patterns:

Triazine

Detail

Select ID 317 DB fairmol

KB_Leish_82

ID 317

CCOc1ccc(CN(C)Cc2nc(N)nc(Nc3ccc(C)cc3)[nH+]2)cc1

Formula: C21H27N6O+

MW: 379.49 | LogP: 2.96

TPSA: 90.44

Patterns:

Triazine

Detail

Select ID 1139 DB fairmol

KB_Leish_66

ID 1139

CNc1nc(C)nc(N2CCc3cc(C(=O)NCc4ccc(-c5nccn5C)cc4Cl)ccc32)n1

Formula: C25H25ClN8O

MW: 488.98 | LogP: 3.90

TPSA: 100.86

Patterns:

Triazine

Detail

Select ID 1142 DB fairmol

KB_Leish_65

ID 1142

CNc1nc(C)nc(N2CCc3cc(C(=O)NCc4ccc(-c5cc[nH]n5)cc4Cl)ccc32)n1

Formula: C24H23ClN8O

MW: 474.96 | LogP: 3.89

TPSA: 111.72

Patterns:

Triazine

Detail

Select ID 1476 DB fairmol

ulfkktlib_3034

ID 1476

CCSc1nc(N)[nH]c(=O)n1

Formula: C5H8N4OS

MW: 172.21 | LogP: -0.14

TPSA: 84.66

Patterns:

Triazine

Detail

Select ID 1643 DB fairmol

ulfkktlib_3027

ID 1643

CN(C)c1nc(Cl)nc(N/C=N/O)n1

Formula: C6H9ClN6O

MW: 216.63 | LogP: 0.42

TPSA: 86.53

Patterns:

Triazine

Detail

Select ID 2159 DB fairmol

ulfkktlib_626

ID 2159

CSc1nc(Nc2ccc(S(N)(=O)=O)cc2)nc(SC)n1

Formula: C11H13N5O2S3

MW: 343.46 | LogP: 1.71

TPSA: 110.86

Patterns:

Triazine

Detail

Select ID 2209 DB fairmol

Z1515383340

ID 2209

Nc1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)n1

Formula: C8H12N4O5

MW: 244.21 | LogP: -3.17

TPSA: 143.72

Patterns:

Triazine

Detail

Select ID 2636 DB fairmol

KB_Leish_175

ID 2636

Cc1ccc(Nc2nc(N)nc(C[NH2+][C@@H](c3nc4ccccc4[nH]3)C(C)C)n2)cc1

Formula: C22H27N8+

MW: 403.51 | LogP: 2.84

TPSA: 122.01

Patterns:

Triazine

Detail

Select ID 2739 DB fairmol

KB_Leish_175

ID 2739

Cc1ccc(Nc2nc(N)nc(CN[C@H](c3nc4ccccc4[nH]3)C(C)C)n2)cc1

Formula: C22H26N8

MW: 402.51 | LogP: 3.87

TPSA: 117.43

Patterns:

Triazine

Detail

Select ID 3098 DB fairmol

KB_Leish_175

ID 3098

Cc1ccc(Nc2nc(N)nc(C[NH2+][C@H](c3nc4ccccc4[nH]3)C(C)C)n2)cc1

Formula: C22H27N8+

MW: 403.51 | LogP: 2.84

TPSA: 122.01

Patterns:

Triazine

Detail

Select ID 4503 DB fairmol

KB_Leish_66

ID 4503

CNc1nc(C)nc(N2CCc3cc(C(=O)NCc4ccc(-c5[nH+]ccn5C)cc4Cl)ccc32)n1

Formula: C25H26ClN8O+

MW: 489.99 | LogP: 3.32

TPSA: 102.11

Patterns:

Triazine

Detail

Select ID 4947 DB fairmol

KB_Leish_78

ID 4947

CC(C)c1[nH+]n(-c2nc(N)nc(-c3ccccn3)n2)c(N)c1C1CCCCC1

Formula: C20H27N8+

MW: 379.49 | LogP: 2.87

TPSA: 122.67

Patterns:

Triazine

Detail

Select ID 5016 DB fairmol

KB_Leish_81

ID 5016

Cc1nn(-c2nc(N)nc(-c3ccccn3)n2)c(C)c1Cc1ccccc1

Formula: C20H19N7

MW: 357.42 | LogP: 2.91

TPSA: 95.40

Patterns:

Triazine

Detail

Select ID 5273 DB fairmol

KB_Leish_76

ID 5273

Nc1nc(-c2ccccn2)nc(-n2nc(-c3ccccc3)cc2N)n1

Formula: C17H14N8

MW: 330.36 | LogP: 1.95

TPSA: 121.42

Patterns:

Triazine

Detail