COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK789687
Chemical Name: 1-[(3-chloro-6-nitro-1-benzothiophen-2-yl)carbonyl]-2,2,4-trimethyl-1,2-dihydroquinolin-6-yl3-chloro-6-nitro-1-benzothiophene-2-carboxylate
Smiles: O=C(c1sc2c(c1Cl)ccc(c2)[N+](=O)[O-])Oc1ccc2c(c1)C(=CC(N2C(=O)c1sc2c(c1Cl)ccc(c2)[N+](=O)[O-])(C)C)C

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Molecular Weight: 668.53
Empirical Formula: C30H19Cl2N3O7S2

Physical State: Dry powder
Available Amount: 260 mg

Lipinsky:
logP: 9.754
Rotatable bonds: 4
H-donors: 0
H-acceptors: 7
PSA: 194
Number of rings: 6

     

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