General Information of the Compound
| Compound ID |
CP0040635
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| Compound Name |
(2-Methoxy-5-trifluoromethoxy-benzyl)-((2S,3S)-2-phenyl-piperidin-3-yl)-amine
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| Synonyms |
(2S,3S)-N-(2-methoxy-5-(trifluoromethoxy)benzyl)-2-phenylpiperidin-3-amine
AKOS030542331
BDBM50067935
CAS-145742-28-5
CHEMBL1917847
CHEMBL319118
CP-122721
DB05421
DSSTox_CID_27251
DSSTox_GSID_47251
DSSTox_RID_82210
DTXSID9047251
NCGC00247927-01
NCGC00254228-01
R7OYP6N58F
SCHEMBL156646
Tox21_300205
UNII-R7OYP6N58F
ZINC22441997
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| Structure |
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| Formula |
C20H23F3N2O2
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| Molecular Weight |
380.41
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| Canonical SMILES |
COc1ccc(OC(F)(F)F)cc1CN[C@H]1CCCN[C@H]1c1ccccc1
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| InChI |
InChI=1S/C20H23F3N2O2/c1-26-18-10-9-16(27-20(21,22)23)12-15(18)13-25-17-8-5-11-24-19(17)14-6-3-2-4-7-14/h2-4,6-7,9-10,12,17,19,24-25H,5,8,11,13H2,1H3/t17-,19-/m0/s1
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| InChIKey |
ZIWFCOIGUNPHPM-HKUYNNGSSA-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
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2
Protein ID: PT01410, Substance-P receptor
Clinical Information about the Compound