COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK051439
Chemical Name: (2E)-4-{(1,3-benzodioxol-5-ylmethyl)[1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]amino}-4-oxobut-2-enoicacid
Smiles: OC(=O)/C=C/C(=O)N(C1CC(=O)N(C1=O)c1cccc(c1)Cl)Cc1ccc2c(c1)OCO2

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Molecular Weight: 456.84
Empirical Formula: C22H17ClN2O7

Physical State: Dry powder
Available Amount: 444 mg

Lipinsky:
logP: 1.651
Rotatable bonds: 6
H-donors: 1
H-acceptors: 7
PSA: 113
Number of rings: 4

     

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