COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK444510
Chemical Name: methyl2-{[(4-methyl-3,5-dinitrophenyl)carbonyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Smiles: COC(=O)c1c(NC(=O)c2cc([N+](=O)[O-])c(c(c2)[N+](=O)[O-])C)sc2c1CCCCCC2

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Molecular Weight: 447.47
Empirical Formula: C20H21N3O7S

Physical State: Dry powder
Available Amount: 2022 mg

Lipinsky:
logP: 7.065
Rotatable bonds: 2
H-donors: 1
H-acceptors: 7
PSA: 175
Number of rings: 3

     

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