COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK002544
Chemical Name: 2-[2-(4-chlorophenyl)ethyl]-3-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2,3,4,5,6,7-hexahydro-1H-isoindol-1-one
Smiles: COc1cc(CCNC2N(CCc3ccc(cc3)Cl)C(=O)C3=C2CCCC3)ccc1OC

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Molecular Weight: 455
Empirical Formula: C26H31ClN2O3

Available Amount: 0 mg

Lipinsky:
logP: 4.499
Rotatable bonds: 8
H-donors: 1
H-acceptors: 3
PSA: 50
Number of rings: 4

     

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