COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK432581
Chemical Name: methyl2-{[(3-chloro-6-methyl-1-benzothiophen-2-yl)carbonyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Smiles: COC(=O)c1c(sc2c1CCCCC2)NC(=O)c1sc2c(c1Cl)ccc(c2)C

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Molecular Weight: 433.98
Empirical Formula: C21H20ClNO3S2

Physical State: Dry powder
Available Amount: 691 mg

Lipinsky:
logP: 9
Rotatable bonds: 3
H-donors: 1
H-acceptors: 3
PSA: 111
Number of rings: 4

     

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