COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK326889
Chemical Name: N-(3,4-dichlorophenyl)-1-{[(5,5-dimethyl-3-oxocyclohex-1-en-1-yl)amino]methyl}-3,4-dihydroisoquinoline-2(1H)-carboxamide
Smiles: O=C1C=C(NCC2N(CCc3c2cccc3)C(=O)Nc2ccc(c(c2)Cl)Cl)CC(C1)(C)C

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Molecular Weight: 472.41
Empirical Formula: C25H27Cl2N3O2

Physical State: Dry powder
Available Amount: 82 mg

Lipinsky:
logP: 5.667
Rotatable bonds: 2
H-donors: 2
H-acceptors: 2
PSA: 61
Number of rings: 4

     

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