COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL304943
Chemical Name: 4-{[(2Z)-3-(1,3-benzodioxol-5-yl)-2-{[(2-chlorophenyl)carbonyl]amino}prop-2-enoyl]amino}butanoicacid
Smiles: OC(=O)CCCNC(=O)/C(=C/c1ccc2c(c1)OCO2)/NC(=O)c1ccccc1Cl

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Molecular Weight: 430.84
Empirical Formula: C21H19ClN2O6

Physical State: Dry powder
Available Amount: 205 mg

Lipinsky:
logP: 2.03
Rotatable bonds: 8
H-donors: 3
H-acceptors: 6
PSA: 113
Number of rings: 3

     

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