General Information of the Compound
| Compound ID |
CP0905025
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| Compound Name |
rac-cis-1-Acetyl-N-(2-methoxy-5-(trifluoromethoxy)benzyl)-3-phenyl-4-piperidinamine hydrochloride
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| Structure |
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| Formula |
C22H26ClF3N2O3
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| Molecular Weight |
458.908
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| Canonical SMILES |
COc1ccc(OC(F)(F)F)cc1CN[C@H]1CCN(C(C)=O)C[C@H]1c1ccccc1.Cl
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| InChI |
InChI=1S/C22H25F3N2O3.ClH/c1-15(28)27-11-10-20(19(14-27)16-6-4-3-5-7-16)26-13-17-12-18(30-22(23,24)25)8-9-21(17)29-2;/h3-9,12,19-20,26H,10-11,13-14H2,1-2H3;1H/t19-,20-;/m0./s1
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| InChIKey |
HAQHEAPJUBPWJB-FKLPMGAJSA-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