UCSF

ZINC12856994

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2008 38 No

Popular Name: 5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-3-[1-(2,4-dichlorophenyl)-3-methyl-5-oxo-1,2,4-triazolan-3-yl]-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione 5-[[3-chloro-5-(trifluoromethyl)…

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CAS Number: 317822-47-2

Other Names:

MFCD00664197

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) 3.41 -1.4 -19.26 2 11 0 119 592.749 5 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 193 - 195 KeyOrganics

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