General Information of the Compound
| Compound ID |
CP0853358
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| Compound Name |
rac-cis-N-[2-Methoxy-5-(trifluoromethoxy)benzyl]-3-phenyl-4-piperidinamine dihydrochloride
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| Structure |
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| Formula |
C20H25Cl2F3N2O2
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| Molecular Weight |
453.332
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| Canonical SMILES |
COc1ccc(OC(F)(F)F)cc1CN[C@H]1CCNC[C@H]1c1ccccc1.Cl.Cl
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| InChI |
InChI=1S/C20H23F3N2O2.2ClH/c1-26-19-8-7-16(27-20(21,22)23)11-15(19)12-25-18-9-10-24-13-17(18)14-5-3-2-4-6-14;;/h2-8,11,17-18,24-25H,9-10,12-13H2,1H3;2*1H/t17-,18-;;/m0../s1
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| InChIKey |
ONXQEJJADHLNRM-MPGISEFESA-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