UCSF

ZINC05383648

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 31st, 2006 30 Yes

Popular Name: N~3~-(tert-butyl)-N~2~-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2,3(1H)-isoquinolinedicarboxamide N~3~-(tert-butyl)-N~2~-[3-(trifl…

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CAS Number: 318517-12-3

Other Names:

MFCD01316077

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) 4.23 0.88 -12.75 2 5 0 61 419.447 4 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 194 - 196 KeyOrganics

Activity (Go SEA)

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