UCSF

ZINC01383305

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 41 No

Popular Name: 2-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)-4-(1,3-dioxo-1,3-dihydro-2H-inden-2-yliden)-6-(2-pyridinyl)tetrahydropyrrolo[3,4-c]pyrrole-1,3(2H,3aH)-dione 2-(2-{[3-chloro-5-(trifluorometh…

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CAS Number: 321392-12-5

Other Names:

MFCD00974974

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) 3.29 9.01 -52.89 1 9 -1 128 580.93 7 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 172 - 174 KeyOrganics

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Rings

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

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