General Information of the Compound
| Compound ID |
CP0914661
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| Compound Name |
rac-Methyl cis-4-{[2-methoxy-5-(trifluoromethoxy)benzyl]amino}-3-phenylpiperidine-1-carboxylate hydrochloride
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| Structure |
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| Formula |
C22H26ClF3N2O4
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| Molecular Weight |
474.907
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| Canonical SMILES |
COC(=O)N1CC[C@H](NCc2cc(OC(F)(F)F)ccc2OC)[C@H](c2ccccc2)C1.Cl
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| InChI |
InChI=1S/C22H25F3N2O4.ClH/c1-29-20-9-8-17(31-22(23,24)25)12-16(20)13-26-19-10-11-27(21(28)30-2)14-18(19)15-6-4-3-5-7-15;/h3-9,12,18-19,26H,10-11,13-14H2,1-2H3;1H/t18-,19-;/m0./s1
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| InChIKey |
HDGZPIZCCOSRGZ-HLRBRJAUSA-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