COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK422785
Chemical Name: methyl(2Z)-2-cyano-3-[3-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]prop-2-enoate
Smiles: COC(=O)/C(=C\c1c[nH]nc1c1ccc(c(c1)OC)OC)/C#N

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Molecular Weight: 313.31
Empirical Formula: C16H15N3O4

Physical State: Dry powder
Available Amount: 1252 mg

Lipinsky:
logP: 1.322
Rotatable bonds: 6
H-donors: 1
H-acceptors: 4
PSA: 97
Number of rings: 2

     

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