General Information of the Compound
| Compound ID |
CP0968626
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| Compound Name |
(S)-3-((4-(Aminomethyl)-6-(trifluoromethyl)pyridin-2-yl)oxy)-N-phenylpiperidine-1-carboxamide trifluoroacetate
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| Structure |
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| Formula |
C21H22F6N4O4
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| Molecular Weight |
508.419
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| Canonical SMILES |
NCc1cc(O[C@H]2CCCN(C(=O)Nc3ccccc3)C2)nc(C(F)(F)F)c1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C19H21F3N4O2.C2HF3O2/c20-19(21,22)16-9-13(11-23)10-17(25-16)28-15-7-4-8-26(12-15)18(27)24-14-5-2-1-3-6-14;3-2(4,5)1(6)7/h1-3,5-6,9-10,15H,4,7-8,11-12,23H2,(H,24,27);(H,6,7)/t15-;/m0./s1
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| InChIKey |
ONEBGHGNGXTBEC-RSAXXLAASA-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