UCSF

ZINC01389703

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 28 Yes

Popular Name: N~3~-(tert-butyl)-N~2~-(4-methoxyphenyl)-3,4-dihydro-2,3(1H)-isoquinolinedicarboxamide N~3~-(tert-butyl)-N~2~-(4-methox…

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CAS Number: 318256-28-9

Other Names:

MFCD01316014

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) 3.42 8.85 -15.59 2 6 0 71 381.476 4 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 198 - 200 KeyOrganics

Activity (Go SEA)

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