COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK131923
Chemical Name: 4-(1,3-dimethyl-2,4,6-trioxo-2,3,4,5,6,11-hexahydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidin-5-yl)phenyl3-chloro-1-benzothiophene-2-carboxylate
Smiles: O=C1c2ccccc2C2=C1C(c1ccc(cc1)OC(=O)c1sc3c(c1Cl)cccc3)c1c(N2)n(C)c(=O)n(c1=O)C

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Molecular Weight: 582.04
Empirical Formula: C31H20ClN3O5S

Physical State: Dry powder
Available Amount: 394 mg

Lipinsky:
logP: 6.876
Rotatable bonds: 2
H-donors: 1
H-acceptors: 5
PSA: 124
Number of rings: 7

     

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