COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK083394
Chemical Name: tetramethyl9'-ethoxy-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: CCOc1ccc2c(c1)C1=C(C(N2C(=O)/C=C/c2ccc(cc2)[N+](=O)[O-])(C)C)SC(=C(C21SC(=C(S2)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC

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Molecular Weight: 768.84
Empirical Formula: C35H32N2O12S3

Physical State: Dry powder
Available Amount: 451 mg

Lipinsky:
logP: 11.717
Rotatable bonds: 11
H-donors: 0
H-acceptors: 12
PSA: 256
Number of rings: 5

     

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