COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK626567
Chemical Name: (4E)-2-(3-chlorophenyl)-4-({[3-(1H-imidazol-1-yl)propyl]amino}methylidene)isoquinoline-1,3(2H,4H)-dione
Smiles: Clc1cccc(c1)N1C(=O)/C(=C/NCCCn2cncc2)/c2c(C1=O)cccc2

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Molecular Weight: 406.87
Empirical Formula: C22H19ClN4O2

Physical State: Dry powder
Available Amount: 323 mg

Lipinsky:
logP: 3.182
Rotatable bonds: 4
H-donors: 1
H-acceptors: 2
PSA: 67
Number of rings: 4

     

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