COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK637521
Chemical Name: (4E)-4-({[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]amino}methylidene)-2-(3-chlorophenyl)isoquinoline-1,3(2H,4H)-dione
Smiles: Clc1cccc(c1)N1C(=O)/C(=C/NCC(c2ccco2)N2CCCCCC2)/c2c(C1=O)cccc2

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Molecular Weight: 490
Empirical Formula: C28H28ClN3O3

Physical State: Dry powder
Available Amount: 310 mg

Lipinsky:
logP: 5.74
Rotatable bonds: 3
H-donors: 1
H-acceptors: 3
PSA: 65
Number of rings: 5

     

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