General Information of the Compound
| Compound ID |
CP0086802
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| Compound Name |
1-(1-cyclohexyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-[2-(2-methoxyphenyl)ethylamino]ethanone
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| Structure |
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| Formula |
C26H34N2O2
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| Molecular Weight |
406.57
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| Canonical SMILES |
COc1ccccc1CCNCC(=O)N1CCc2ccccc2C1C1CCCCC1
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| InChI |
InChI=1S/C26H34N2O2/c1-30-24-14-8-6-10-21(24)15-17-27-19-25(29)28-18-16-20-9-5-7-13-23(20)26(28)22-11-3-2-4-12-22/h5-10,13-14,22,26-27H,2-4,11-12,15-19H2,1H3
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| InChIKey |
VMAAYDDUTWTYFJ-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