COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK097011
Chemical Name: tetramethyl7'-methoxy-5',5'-dimethyl-6'-[(2E)-3-(4-nitrophenyl)prop-2-enoyl]-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(c1c3cccc1OC)C(=O)/C=C/c1ccc(cc1)[N+](=O)[O-])SC(=C(S2)C(=O)OC)C(=O)OC

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Molecular Weight: 754.82
Empirical Formula: C34H30N2O12S3

Physical State: Dry powder
Available Amount: 50 mg

Lipinsky:
logP: 11.186
Rotatable bonds: 10
H-donors: 0
H-acceptors: 12
PSA: 256
Number of rings: 5

     

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