COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK419555
Chemical Name: propan-2-yl2-{[(2E)-3-(2,6-dichlorophenyl)prop-2-enoyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Smiles: CC(OC(=O)c1c(NC(=O)/C=C/c2c(Cl)cccc2Cl)sc2c1CCCCC2)C

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Molecular Weight: 452.4
Empirical Formula: C22H23Cl2NO3S

Physical State: Dry powder
Available Amount: 827 mg

Lipinsky:
logP: 9.041
Rotatable bonds: 4
H-donors: 1
H-acceptors: 3
PSA: 83
Number of rings: 3

     

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