COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK418813
Chemical Name: methyl2-{[(2E)-3-(2-chlorophenyl)prop-2-enoyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Smiles: COC(=O)c1c(NC(=O)/C=C/c2ccccc2Cl)sc2c1CCCCCC2

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Molecular Weight: 403.93
Empirical Formula: C21H22ClNO3S

Physical State: Dry powder
Available Amount: 1728 mg

Lipinsky:
logP: 8.336
Rotatable bonds: 4
H-donors: 1
H-acceptors: 3
PSA: 83
Number of rings: 3

     

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