General Information of the Compound
| Compound ID |
CP0903901
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| Compound Name |
3-((4-(Aminomethyl)-6-(trifluoromethyl)pyridin-2-yl)oxy)-N-(3-ethynylphenyl)benzamide hydrochloride
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| Structure |
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| Formula |
C22H17ClF3N3O2
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| Molecular Weight |
447.844
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| Canonical SMILES |
C#Cc1cccc(NC(=O)c2cccc(Oc3cc(CN)cc(C(F)(F)F)n3)c2)c1.Cl
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| InChI |
InChI=1S/C22H16F3N3O2.ClH/c1-2-14-5-3-7-17(9-14)27-21(29)16-6-4-8-18(12-16)30-20-11-15(13-26)10-19(28-20)22(23,24)25;/h1,3-12H,13,26H2,(H,27,29);1H
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| InChIKey |
MSDHRYPFSZCQEP-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