COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL243345
Chemical Name: 2-(2-methoxyethyl)-4-({4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}carbonyl)isoquinolin-1(2H)-one
Smiles: COCCn1cc(C(=O)N2CCN(CC2)C/C=C/c2ccccc2)c2c(c1=O)cccc2

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Molecular Weight: 431.53
Empirical Formula: C26H29N3O3

Physical State: Dry powder
Available Amount: 50 mg

Lipinsky:
logP: 2.779
Rotatable bonds: 5
H-donors: 0
H-acceptors: 3
PSA: 53
Number of rings: 4

     

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