COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK789167
Chemical Name: tetramethyl7'-ethoxy-5',5'-dimethyl-6'-[(3-nitrophenyl)carbonyl]-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
Smiles: CCOc1cccc2c1N(C(=O)c1cccc(c1)[N+](=O)[O-])C(C1=C2C2(SC(=C(S2)C(=O)OC)C(=O)OC)C(=C(S1)C(=O)OC)C(=O)OC)(C)C

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Molecular Weight: 742.81
Empirical Formula: C33H30N2O12S3

Physical State: Dry powder
Available Amount: 225 mg

Lipinsky:
logP: 10.727
Rotatable bonds: 11
H-donors: 0
H-acceptors: 12
PSA: 256
Number of rings: 5

     

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