COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK337627
Chemical Name: methyl3-{[(3-chloro-7-nitro-1-benzothiophen-2-yl)carbonyl]amino}-4-(4-methylpiperazin-1-yl)benzoate
Smiles: COC(=O)c1ccc(c(c1)NC(=O)c1sc2c(c1Cl)cccc2[N+](=O)[O-])N1CCN(CC1)C

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Molecular Weight: 488.95
Empirical Formula: C22H21ClN4O5S

Physical State: Dry powder
Available Amount: 310 mg

Lipinsky:
logP: 4.521
Rotatable bonds: 3
H-donors: 1
H-acceptors: 5
PSA: 135
Number of rings: 4

     

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