COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK386489
Chemical Name: N-[(2Z)-3-(1,3-benzodioxol-5-yl)-2-{[(2-chlorophenyl)carbonyl]amino}prop-2-enoyl]-beta-alanine
Smiles: OC(=O)CCNC(=O)/C(=C/c1ccc2c(c1)OCO2)/NC(=O)c1ccccc1Cl

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Molecular Weight: 416.82
Empirical Formula: C20H17ClN2O6

Physical State: Dry powder
Available Amount: 414 mg

Lipinsky:
logP: 1.813
Rotatable bonds: 7
H-donors: 3
H-acceptors: 6
PSA: 113
Number of rings: 3

     

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