COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK001214
Chemical Name: tetramethyl6'-[(3,4-dichlorophenyl)carbamoyl]-5',5',8',9'-tetramethyl-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
Smiles: COC(=O)C1=C(C(=O)OC)C2(C3=C(S1)C(C)(C)N(c1c3cc(C)c(c1)C)C(=O)Nc1ccc(c(c1)Cl)Cl)SC(=C(S2)C(=O)OC)C(=O)OC

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Molecular Weight: 765.71
Empirical Formula: C33H30Cl2N2O9S3

Physical State: Dry powder
Available Amount: 500 mg

Lipinsky:
logP: 13.088
Rotatable bonds: 8
H-donors: 1
H-acceptors: 9
PSA: 213
Number of rings: 5

     

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