COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL561580
Chemical Name: (2S,8'R)-7-chloro-4,6-dimethoxy-1',8'-dimethyl-3'-[(2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridin-5-yl)methyl]-8',9'-dihydro-2'H,3H-spiro[1-benzofuran-2,7'-pyrimido[4,5-b]quinoline]-2',3,4',6'(1'H,3'H
Smiles: COc1cc(OC)c(c2c1C(=O)[C@]1(O2)[C@H](C)Cc2c(C1=O)cc1c(n2)n(C)c(=O)n(c1=O)Cc1cnc(c2c1COC(O2)(C)C)C)Cl

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Molecular Weight: 663.08
Empirical Formula: C33H31ClN4O9

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.653
Rotatable bonds: 4
H-donors: 0
H-acceptors: 9
PSA: 146
Number of rings: 7

     

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