COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK386488
Chemical Name: N-[(2Z)-3-(1,3-benzodioxol-5-yl)-2-{[(2-bromophenyl)carbonyl]amino}prop-2-enoyl]-beta-alanine
Smiles: OC(=O)CCNC(=O)/C(=C/c1ccc2c(c1)OCO2)/NC(=O)c1ccccc1Br

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Molecular Weight: 461.27
Empirical Formula: C20H17BrN2O6

Physical State: Dry powder
Available Amount: 418 mg

Lipinsky:
logP: 1.99
Rotatable bonds: 7
H-donors: 3
H-acceptors: 6
PSA: 113
Number of rings: 3

     

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