COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL021010
Chemical Name: ethyl2-{[(2E)-3-(1-benzyl-1H-indol-3-yl)-2-cyanoprop-2-enoyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Smiles: CCOC(=O)c1c(NC(=O)/C(=C/c2cn(c3c2cccc3)Cc2ccccc2)/C#N)sc2c1CCC(C2)C

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Molecular Weight: 523.66
Empirical Formula: C31H29N3O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 9.532
Rotatable bonds: 6
H-donors: 1
H-acceptors: 3
PSA: 112
Number of rings: 5

     

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