COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL496048
Chemical Name: 7-{[4-(4-chlorophenyl)piperazin-1-yl]methyl}-3,4,8,10-tetrahydroxy-2-(hydroxymethyl)-9-methoxy-3,4,4a,10b-tetrahydropyrano[3,2-c]isochromen-6(2H)-one
Smiles: OCC1OC2C(C(C1O)O)OC(=O)c1c2c(O)c(c(c1CN1CCN(CC1)c1ccc(cc1)Cl)O)OC

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Molecular Weight: 536.97
Empirical Formula: C25H29ClN2O9

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.866
Rotatable bonds: 8
H-donors: 5
H-acceptors: 9
PSA: 152
Number of rings: 5

     

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