COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK086598
Chemical Name: dimethyl2-{1-[(3-chlorophenyl)carbamoyl]-2,2,6-trimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiole-4,5-dicarboxylate
Smiles: COC(=O)C1=C(S/C(=C/2\c3cc(C)ccc3N(C(C2=S)(C)C)C(=O)Nc2cccc(c2)Cl)/S1)C(=O)OC

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Molecular Weight: 575.13
Empirical Formula: C26H23ClN2O5S3

Physical State: Dry powder
Available Amount: 445 mg

Lipinsky:
logP: 6.432
Rotatable bonds: 4
H-donors: 1
H-acceptors: 5
PSA: 167
Number of rings: 4

     

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