COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK389900
Chemical Name: methyl2-({[3-nitro-4-(pyrrolidin-1-yl)phenyl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Smiles: COC(=O)c1c(NC(=O)c2ccc(c(c2)[N+](=O)[O-])N2CCCC2)sc2c1CCCC2

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Molecular Weight: 429.5
Empirical Formula: C21H23N3O5S

Physical State: Dry powder
Available Amount: 316 mg

Lipinsky:
logP: 7.024
Rotatable bonds: 3
H-donors: 1
H-acceptors: 5
PSA: 132
Number of rings: 4

     

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