COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK789005
Chemical Name: 2',3'-diethyl4,5-dimethyl9'-methoxy-5',5'-dimethyl-6'-(naphthalen-2-ylcarbonyl)-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
Smiles: CCOC(=O)C1=C(C(=O)OCC)C2(C3=C(S1)C(C)(C)N(c1c3cc(OC)cc1)C(=O)c1ccc3c(c1)cccc3)SC(=C(S2)C(=O)OC)C(=O)OC

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Molecular Weight: 761.89
Empirical Formula: C38H35NO10S3

Physical State: Dry powder
Available Amount: 109 mg

Lipinsky:
logP: 12.478
Rotatable bonds: 12
H-donors: 0
H-acceptors: 10
PSA: 210
Number of rings: 6

     

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