COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK078625
Chemical Name: tetramethyl5',5'-dimethyl-9'-trityl-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
Smiles: COC(=O)C1=C(SC2(S1)C(=C(SC1=C2c2cc(ccc2NC1(C)C)C(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)OC)C(=O)OC)C(=O)OC

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Molecular Weight: 791.97
Empirical Formula: C43H37NO8S3

Physical State: Dry powder
Available Amount: 463 mg

Lipinsky:
logP: 14.147
Rotatable bonds: 8
H-donors: 1
H-acceptors: 8
PSA: 193
Number of rings: 7

     

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