General Information of the Compound
| Compound ID |
CP0961697
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| Compound Name |
3-((4-(Aminomethyl-d2)-6-(trifluoromethyl)pyridin-2-yl)oxy)-N-phenylbenzamide hydrochloride
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| Structure |
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| Formula |
C20H17ClF3N3O2
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| Molecular Weight |
425.8342036
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| Canonical SMILES |
Cl.[2H]C([2H])(N)c1cc(Oc2cccc(C(=O)Nc3ccccc3)c2)nc(C(F)(F)F)c1
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| InChI |
InChI=1S/C20H16F3N3O2.ClH/c21-20(22,23)17-9-13(12-24)10-18(26-17)28-16-8-4-5-14(11-16)19(27)25-15-6-2-1-3-7-15;/h1-11H,12,24H2,(H,25,27);1H/i12D2;
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| InChIKey |
KKQUMMOVFCDMIK-JIOWASMBSA-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