UCSF

ZINC01383338

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 29 Yes

Popular Name: N-(4-cyanophenyl)-3-(2-thienyl)-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxamide N-(4-cyanophenyl)-3-(2-thienyl)-…

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CAS Number: 477845-19-5

Other Names:

MFCD01314979

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.27 10.25 -13.12 1 4 0 66 429.448 4 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 264 - 266 KeyOrganics

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Rings

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.