COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK045726
Chemical Name: diethyl5',5',9'-trimethyl-6'-(phenylacetyl)-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-3',4-dicarboxylate
Smiles: CCOC(=O)C1=CC2(C3=C(S1)C(C)(C)N(c1c3cc(C)cc1)C(=O)Cc1ccccc1)SC=C(S2)C(=O)OCC

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Molecular Weight: 593.79
Empirical Formula: C31H31NO5S3

Physical State: Dry powder
Available Amount: 450 mg

Lipinsky:
logP: 11.5
Rotatable bonds: 7
H-donors: 0
H-acceptors: 5
PSA: 148
Number of rings: 5

     

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