COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK052790
Chemical Name: 3-[(E)-(2-{(2E)-3-(1,3-benzodioxol-5-yl)-2-[(phenylcarbonyl)amino]prop-2-enoyl}hydrazinylidene)methyl]phenyl1,3-benzodioxole-5-carboxylate
Smiles: O=C(/C(=C\c1ccc2c(c1)OCO2)/NC(=O)c1ccccc1)N/N=C/c1cccc(c1)OC(=O)c1ccc2c(c1)OCO2

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Molecular Weight: 577.55
Empirical Formula: C32H23N3O8

Physical State: Dry powder
Available Amount: 407 mg

Lipinsky:
logP: 6.291
Rotatable bonds: 7
H-donors: 2
H-acceptors: 8
PSA: 133
Number of rings: 6

     

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