COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL537440
Chemical Name: (12aS)-2-butyl-6-(3-chlorophenyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Smiles: CCCCN1CC(=O)N2[C@H](C1=O)Cc1c(C2c2cccc(c2)Cl)[nH]c2c1cccc2

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Molecular Weight: 421.93
Empirical Formula: C24H24ClN3O2

Physical State: Dry powder
Available Amount: 302 mg

Lipinsky:
logP: 3.757
Rotatable bonds: 4
H-donors: 1
H-acceptors: 2
PSA: 56
Number of rings: 5

     

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