COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL549582
Chemical Name: methyl7-chloro-4'-(3-chloro-4-hydroxyphenyl)-5'-hydroxy-4,6-dimethoxy-2',7'-dimethyl-3-oxo-7',8'-dihydro-3H,4'H-spiro[1-benzofuran-2,6'-quinoline]-3'-carboxylate
Smiles: COC(=O)C1=C(C)N=C2C(=C(O)C3(C(C2)C)Oc2c(C3=O)c(OC)cc(c2Cl)OC)C1c1ccc(c(c1)Cl)O

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Molecular Weight: 574.41
Empirical Formula: C28H25Cl2NO8

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.417
Rotatable bonds: 7
H-donors: 2
H-acceptors: 8
PSA: 123
Number of rings: 5

     

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