COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL514838
Chemical Name: 1-(1,3-benzodioxol-5-yl)-N-[2-(3,4-dichlorophenyl)ethyl]-9H-beta-carboline-3-carboxamide
Smiles: O=C(c1nc(c2ccc3c(c2)OCO3)c2c(c1)c1ccccc1[nH]2)NCCc1ccc(c(c1)Cl)Cl

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Molecular Weight: 504.37
Empirical Formula: C27H19Cl2N3O3

Physical State: Dry powder
Available Amount: 60 mg

Lipinsky:
logP: 6.697
Rotatable bonds: 5
H-donors: 2
H-acceptors: 3
PSA: 76
Number of rings: 6

     

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