COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK076795
Chemical Name: dimethyl2-{6-methoxy-2,2-dimethyl-1-[(naphthalen-2-yloxy)acetyl]-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiole-4,5-dicarboxylate
Smiles: COC(=O)C1=C(S/C(=C/2\c3cc(OC)ccc3N(C(C2=S)(C)C)C(=O)COc2ccc3c(c2)cccc3)/S1)C(=O)OC

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Molecular Weight: 621.76
Empirical Formula: C31H27NO7S3

Physical State: Dry powder
Available Amount: 456 mg

Lipinsky:
logP: 6.529
Rotatable bonds: 8
H-donors: 0
H-acceptors: 7
PSA: 174
Number of rings: 5

     

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