General Information of the Compound
| Compound ID |
CP0052645
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| Compound Name |
1-[(1S)-1-cyclohexyl-3,4-dihydro-1H-isoquinolin-2-yl]-2-[(1-hydroxycyclohexyl)methylamino]ethanone
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| Structure |
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| Formula |
C24H36N2O2
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| Molecular Weight |
384.564
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| Canonical SMILES |
OC1(CNCC(=O)N2CCc3ccccc3[C@@H]2C2CCCCC2)CCCCC1
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| InChI |
InChI=1S/C24H36N2O2/c27-22(17-25-18-24(28)14-7-2-8-15-24)26-16-13-19-9-5-6-12-21(19)23(26)20-10-3-1-4-11-20/h5-6,9,12,20,23,25,28H,1-4,7-8,10-11,13-18H2/t23-/m0/s1
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| InChIKey |
ITFCLOBMTXLVCQ-QHCPKHFHSA-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