COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK087454
Chemical Name: tetramethyl6'-[(2E)-but-2-enoyl]-9'-ethoxy-5',5'-dimethyl-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/C)(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: 661.77
Empirical Formula: C30H31NO10S3

Physical State: Dry powder
Available Amount: 461 mg

Lipinsky:
logP: 10.328
Rotatable bonds: 11
H-donors: 0
H-acceptors: 10
PSA: 210
Number of rings: 4

     

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