General Information of the Compound
| Compound ID |
CP0446954
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| Compound Name |
N-[(1R,3S)-3-aminocyclohexyl]-2-[(2-chlorophenyl)methoxy]-N-ethylbenzamide
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| Structure |
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| Formula |
C22H27ClN2O2
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| Molecular Weight |
386.923
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| Canonical SMILES |
CCN([C@@H]1CCC[C@H](N)C1)C(=O)c1ccccc1OCc1ccccc1Cl
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| InChI |
InChI=1S/C22H27ClN2O2/c1-2-25(18-10-7-9-17(24)14-18)22(26)19-11-4-6-13-21(19)27-15-16-8-3-5-12-20(16)23/h3-6,8,11-13,17-18H,2,7,9-10,14-15,24H2,1H3/t17-,18+/m0/s1
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| InChIKey |
MEZSPRSWKZUORF-ZWKOTPCHSA-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