COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK472679
Chemical Name: methyl2-({(2E)-2-cyano-3-[1-(2-methylbenzyl)-1H-indol-3-yl]prop-2-enoyl}amino)-5-(propan-2-yl)thiophene-3-carboxylate
Smiles: N#C/C(=C\c1cn(c2c1cccc2)Cc1ccccc1C)/C(=O)Nc1sc(cc1C(=O)OC)C(C)C

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Molecular Weight: 497.62
Empirical Formula: C29H27N3O3S

Physical State: Dry powder
Available Amount: 175 mg

Lipinsky:
logP: 8.622
Rotatable bonds: 7
H-donors: 1
H-acceptors: 3
PSA: 112
Number of rings: 4

     

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