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Jasen preklop med dedupliciranimi compounds in posameznimi samples.
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Compounds 5571 Samples 0
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3 results for Pattern / motif query
Pattern / motif 3 results DB fairmol
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Pattern registry Vnos: naphthyridine Naphthyridine
ID 372 DB fairmol
2D structure

KB_chagas_173

ID 372

Cc1ccc(C[NH2+][C@H]2CC[N@H+](C[C@@H]3Cn4c(=O)ccc5ccc(=O)n3c54)CC2)cc1F

Formula: C24H29FN4O2+2

MW: 424.52 | LogP: -0.02

TPSA: 65.05

Patterns:

Naphthyridine
Detail
ID 1642 DB fairmol
2D structure

Z1198180960

ID 1642

Cc1ccc2c(O)ccnc2n1

Formula: C9H8N2O

MW: 160.18 | LogP: 1.64

TPSA: 46.01

Patterns:

Naphthyridine
Detail
ID 3205 DB fairmol
2D structure

KB_chagas_173

ID 3205

Cc1ccc(C[NH2+]C2CCN(C[C@@H]3Cn4c(=O)ccc5ccc(=O)n3c54)CC2)cc1F

Formula: C24H28FN4O2+

MW: 423.51 | LogP: 1.39

TPSA: 63.85

Patterns:

Naphthyridine
Detail