UCSF

ZINC01383286

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2005 31 No

Popular Name: 8-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-oxo-N-phenyl-1,2,8-triazaspiro[4.5]decane-1-carboxamide 8-[3-chloro-5-(trifluoromethyl)-…

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CAS Number: 400076-23-5

Other Names:

MFCD01871401

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.70 -2.31 -31.27 3 7 1 78 454.86 3 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 163 - 165 KeyOrganics

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Rings

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

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