COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK409579
Chemical Name: (2E)-N-(1,3-benzodioxol-5-ylmethyl)-3-[1-(4-chlorobenzyl)-1H-indol-3-yl]-2-cyanoprop-2-enamide
Smiles: N#C/C(=C\c1cn(c2c1cccc2)Cc1ccc(cc1)Cl)/C(=O)NCc1ccc2c(c1)OCO2

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Molecular Weight: 469.93
Empirical Formula: C27H20ClN3O3

Physical State: Dry powder
Available Amount: 363 mg

Lipinsky:
logP: 5.583
Rotatable bonds: 5
H-donors: 1
H-acceptors: 3
PSA: 76
Number of rings: 5

     

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