COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL297592
Chemical Name: N-[(2E)-3-(1,3-benzodioxol-5-yl)-2-{[(5-bromofuran-2-yl)carbonyl]amino}prop-2-enoyl]-beta-alanine
Smiles: OC(=O)CCNC(=O)/C(=C\c1ccc2c(c1)OCO2)/NC(=O)c1ccc(o1)Br

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Molecular Weight: 451.23
Empirical Formula: C18H15BrN2O7

Physical State: Dry powder
Available Amount: 217 mg

Lipinsky:
logP: 1.575
Rotatable bonds: 7
H-donors: 3
H-acceptors: 7
PSA: 127
Number of rings: 3

     

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