COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK577211
Chemical Name: (4E)-4-({[3-(diethylamino)propyl]amino}methylidene)-2-(2,3-dimethylphenyl)isoquinoline-1,3(2H,4H)-dione
Smiles: CCN(CCCN/C=C/1\c2ccccc2C(=O)N(C1=O)c1cccc(c1C)C)CC

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Molecular Weight: 405.54
Empirical Formula: C25H31N3O2

Physical State: Dry powder
Available Amount: 305 mg

Lipinsky:
logP: 4.841
Rotatable bonds: 5
H-donors: 1
H-acceptors: 2
PSA: 52
Number of rings: 3

     

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