COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK855095
Chemical Name: methyl2-{[(1Z)-3-(butylamino)-2-cyano-3-oxoprop-1-en-1-yl]amino}-4,5-dimethoxybenzoate
Smiles: CCCCNC(=O)/C(=C\Nc1cc(OC)c(cc1C(=O)OC)OC)/C#N

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Molecular Weight: 361.4
Empirical Formula: C18H23N3O5

Physical State: Dry powder
Available Amount: 310 mg

Lipinsky:
logP: 2.938
Rotatable bonds: 8
H-donors: 2
H-acceptors: 5
PSA: 109
Number of rings: 1

     

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