General Information of the Compound
| Compound ID |
CP0961696
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| Compound Name |
3-((4-(Aminomethyl)-6-(trifluoromethyl)pyridin-2-yl)oxy)-N-(1-(hydroxymethyl)cyclopropyl)benzamide hydrochloride
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| Structure |
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| Formula |
C18H19ClF3N3O3
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| Molecular Weight |
417.815
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| Canonical SMILES |
Cl.NCc1cc(Oc2cccc(C(=O)NC3(CO)CC3)c2)nc(C(F)(F)F)c1
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| InChI |
InChI=1S/C18H18F3N3O3.ClH/c19-18(20,21)14-6-11(9-22)7-15(23-14)27-13-3-1-2-12(8-13)16(26)24-17(10-25)4-5-17;/h1-3,6-8,25H,4-5,9-10,22H2,(H,24,26);1H
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| InChIKey |
WBKQVDTZRBXODD-UHFFFAOYSA-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