General Information of the Compound
| Compound ID |
CP0550847
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| Compound Name |
1-(1-cyclohexyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-[2-(2,6-dichlorophenyl)ethylamino]ethanone
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| Structure |
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| Formula |
C25H30Cl2N2O
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| Molecular Weight |
445.434
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| Canonical SMILES |
Clc1cccc(Cl)c1CCNCC(=O)N1CCc2ccccc2C1C1CCCCC1
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| InChI |
InChI=1S/C25H30Cl2N2O/c26-22-11-6-12-23(27)21(22)13-15-28-17-24(30)29-16-14-18-7-4-5-10-20(18)25(29)19-8-2-1-3-9-19/h4-7,10-12,19,25,28H,1-3,8-9,13-17H2
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| InChIKey |
AKJFWUJEXZAGLY-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound