COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK052745
Chemical Name: 3-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-(1-phenylethyl)-2,3,4,5,6,7-hexahydro-1H-isoindol-1-one
Smiles: COc1cc(CCNC2C3=C(C(=O)N2C(c2ccccc2)C)CCCC3)ccc1OC

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Molecular Weight: 420.55
Empirical Formula: C26H32N2O3

Physical State: Dry powder
Available Amount: 9 mg

Lipinsky:
logP: 3.885
Rotatable bonds: 7
H-donors: 1
H-acceptors: 3
PSA: 50
Number of rings: 4

     

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