General Information of the Compound
| Compound ID |
CP0386934
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| Compound Name |
1-(1-cyclohexyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-[(1-hydroxycyclopentyl)methylamino]ethanone
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| Structure |
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| Formula |
C23H34N2O2
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| Molecular Weight |
370.537
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| Canonical SMILES |
OC1(CNCC(=O)N2CCc3ccccc3C2C2CCCCC2)CCCC1
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| InChI |
InChI=1S/C23H34N2O2/c26-21(16-24-17-23(27)13-6-7-14-23)25-15-12-18-8-4-5-11-20(18)22(25)19-9-2-1-3-10-19/h4-5,8,11,19,22,24,27H,1-3,6-7,9-10,12-17H2
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| InChIKey |
YQBZAZCCJGCVGK-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