COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK430729
Chemical Name: propan-2-yl2-{[(2-nitrophenyl)carbonyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Smiles: CC(OC(=O)c1c(sc2c1CCCCC2)NC(=O)c1ccccc1[N+](=O)[O-])C

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Molecular Weight: 402.47
Empirical Formula: C20H22N2O5S

Physical State: Dry powder
Available Amount: 1165 mg

Lipinsky:
logP: 6.756
Rotatable bonds: 4
H-donors: 1
H-acceptors: 5
PSA: 129
Number of rings: 3

     

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