COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL517837
Chemical Name: 1-(1,3-benzodioxol-5-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-9H-beta-carboline-3-carboxamide
Smiles: COc1cc(CCNC(=O)c2nc(c3ccc4c(c3)OCO4)c3c(c2)c2ccccc2[nH]3)ccc1OC

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Molecular Weight: 495.53
Empirical Formula: C29H25N3O5

Physical State: Dry powder
Available Amount: 305 mg

Lipinsky:
logP: 5.369
Rotatable bonds: 7
H-donors: 2
H-acceptors: 5
PSA: 94
Number of rings: 6

     

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