COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK588967
Chemical Name: (4E)-2-(2,5-dimethylphenyl)-4-({[(1-ethylpyrrolidin-2-yl)methyl]amino}methylidene)isoquinoline-1,3(2H,4H)-dione
Smiles: CCN1CCCC1CN/C=C/1\c2ccccc2C(=O)N(C1=O)c1cc(C)ccc1C

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Molecular Weight: 403.52
Empirical Formula: C25H29N3O2

Physical State: Dry powder
Available Amount: 306 mg

Lipinsky:
logP: 4.379
Rotatable bonds: 3
H-donors: 1
H-acceptors: 2
PSA: 52
Number of rings: 4

     

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