COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK071949
Chemical Name: tetramethyl3',7',7'-trimethyl-4',5'-dioxo-4',5'-dihydro-7'H-spiro[1,3-dithiole-2,11'-pyrrolo[3,2,1-ij]thiopyrano[2,3-c]quinoline]-4,5,9',10'-tetracarboxylate
Smiles: COC(=O)C1=C(SC2(S1)C(=C(SC1=C2c2ccc(c3c2N(C1(C)C)C(=O)C3=O)C)C(=O)OC)C(=O)OC)C(=O)OC

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Molecular Weight: 617.68
Empirical Formula: C27H23NO10S3

Physical State: Dry powder
Available Amount: 450 mg

Lipinsky:
logP: 8.826
Rotatable bonds: 8
H-donors: 0
H-acceptors: 10
PSA: 218
Number of rings: 5

     

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