General Information of the Compound
| Compound ID |
CP0903888
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| Compound Name |
3-((4-(Aminomethyl)-6-(trifluoromethyl)pyridin-2-yl)oxy)-N-(2-cyanoethyl)benzamide hydrochloride
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| Structure |
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| Formula |
C17H16ClF3N4O2
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| Molecular Weight |
400.788
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| Canonical SMILES |
Cl.N#CCCNC(=O)c1cccc(Oc2cc(CN)cc(C(F)(F)F)n2)c1
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| InChI |
InChI=1S/C17H15F3N4O2.ClH/c18-17(19,20)14-7-11(10-22)8-15(24-14)26-13-4-1-3-12(9-13)16(25)23-6-2-5-21;/h1,3-4,7-9H,2,6,10,22H2,(H,23,25);1H
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| InChIKey |
ROMNUKSKJZHZDC-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