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Jasen preklop med dedupliciranimi compounds in posameznimi samples.
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Compounds 5571 Samples 0
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6 results for Pattern / motif query
Pattern / motif 6 results DB fairmol
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Query interpretation
Pattern registry Vnos: hydroxamic_acid Hydroxamic acid
ID 383 DB fairmol
2D structure

OHD_Schistosoma_119

ID 383

O=C(/C=C/c1ccccc1CSc1nc(Cc2ccccc2)cc(=O)[nH]1)NO

Formula: C21H19N3O3S

MW: 393.47 | LogP: 3.17

TPSA: 95.08

Patterns:

Hydroxamic acid
Detail
ID 690 DB fairmol
2D structure

OHD_TC1_137

ID 690

O=C(CN1C(=O)N(Cc2ccccc2)[C@@]2(CCCCc3ccccc32)C1=O)NO

Formula: C22H23N3O4

MW: 393.44 | LogP: 2.58

TPSA: 89.95

Patterns:

Hydroxamic acid
Detail
ID 3583 DB fairmol
2D structure

OHD_TB2023_32

ID 3583

CC(C)(C)C(=O)OCOP(=O)(OCOC(=O)C(C)(C)C)[C@H]1CCCN(O)C1=O

Formula: C17H30NO9P

MW: 423.40 | LogP: 2.69

TPSA: 128.67

Patterns:

Hydroxamic acid
Detail
ID 3703 DB fairmol
2D structure

OHD_Schistosoma_108

ID 3703

CC(C)(C)OC(=O)Nc1cccc(C(=O)/C=C/c2ccc(C(=O)NO)cc2)c1

Formula: C21H22N2O5

MW: 382.42 | LogP: 4.05

TPSA: 104.73

Patterns:

Hydroxamic acid
Detail
ID 4222 DB fairmol
2D structure

OHD_TC2_77

ID 4222

CCN1C(=O)N(CC(=O)NO)C(=O)[C@]12CC[C@@H](c1ccccc1)CC2

Formula: C18H23N3O4

MW: 345.40 | LogP: 1.87

TPSA: 89.95

Patterns:

Hydroxamic acid
Detail
ID 5429 DB fairmol
2D structure

OHD_TC1_137

ID 5429

O=C(CN1C(=O)N(Cc2ccccc2)[C@]2(CCCCc3ccccc32)C1=O)NO

Formula: C22H23N3O4

MW: 393.44 | LogP: 2.58

TPSA: 89.95

Patterns:

Hydroxamic acid
Detail