COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL001193
Chemical Name: propan-2-yl2-{[(2E)-3-(1-benzyl-1H-indol-3-yl)-2-cyanoprop-2-enoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Smiles: N#C/C(=C\c1cn(c2c1cccc2)Cc1ccccc1)/C(=O)Nc1sc2c(c1C(=O)OC(C)C)CCCC2

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Molecular Weight: 523.66
Empirical Formula: C31H29N3O3S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 9.388
Rotatable bonds: 6
H-donors: 1
H-acceptors: 3
PSA: 112
Number of rings: 5

     

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