General Information of the Compound
| Compound ID |
CP0406690
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| Compound Name |
1-(1-cyclohexyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-[(1-hydroxycycloheptyl)methylamino]ethanone
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| Structure |
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| Formula |
C25H38N2O2
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| Molecular Weight |
398.591
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| Canonical SMILES |
OC1(CNCC(=O)N2CCc3ccccc3C2C2CCCCC2)CCCCCC1
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| InChI |
InChI=1S/C25H38N2O2/c28-23(18-26-19-25(29)15-8-1-2-9-16-25)27-17-14-20-10-6-7-13-22(20)24(27)21-11-4-3-5-12-21/h6-7,10,13,21,24,26,29H,1-5,8-9,11-12,14-19H2
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| InChIKey |
DORAMNHWIAOYOT-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