General Information of the Compound
| Compound ID |
CP0970154
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| Compound Name |
(S)-3-(((4-(Aminomethyl)-6-(trifluoromethyl)pyridin-2-yl)oxy)methyl)-N-phenylpiperidine-1-carboxamide trifluoroacetate
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| Structure |
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| Formula |
C22H24F6N4O4
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| Molecular Weight |
522.446
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| Canonical SMILES |
NCc1cc(OC[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/C20H23F3N4O2.C2HF3O2/c21-20(22,23)17-9-15(11-24)10-18(26-17)29-13-14-5-4-8-27(12-14)19(28)25-16-6-2-1-3-7-16;3-2(4,5)1(6)7/h1-3,6-7,9-10,14H,4-5,8,11-13,24H2,(H,25,28);(H,6,7)/t14-;/m0./s1
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| InChIKey |
QQTLEAKXJQREGV-UQKRIMTDSA-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