COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK133837
Chemical Name: dimethyl2-{1-[(4-tert-butylphenyl)carbonyl]-6-methoxy-2,2-dimethyl-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)c2ccc(cc2)C(C)(C)C)/S1)C(=O)OC

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Molecular Weight: 597.78
Empirical Formula: C30H31NO6S3

Physical State: Dry powder
Available Amount: 407 mg

Lipinsky:
logP: 6.542
Rotatable bonds: 5
H-donors: 0
H-acceptors: 6
PSA: 164
Number of rings: 4

     

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