General Information of the Compound
| Compound ID |
CP0909951
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| Compound Name |
3-((4-(Aminomethyl)-6-(trifluoromethyl)pyridin-2-yl)oxy)-N-(4-(1-phenyl-1H-1,2,3-triazol-4-yl)butyl)benzamide hydrochloride
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| Structure |
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| Formula |
C26H26ClF3N6O2
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| Molecular Weight |
546.981
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| Canonical SMILES |
Cl.NCc1cc(Oc2cccc(C(=O)NCCCCc3cn(-c4ccccc4)nn3)c2)nc(C(F)(F)F)c1
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| InChI |
InChI=1S/C26H25F3N6O2.ClH/c27-26(28,29)23-13-18(16-30)14-24(32-23)37-22-11-6-7-19(15-22)25(36)31-12-5-4-8-20-17-35(34-33-20)21-9-2-1-3-10-21;/h1-3,6-7,9-11,13-15,17H,4-5,8,12,16,30H2,(H,31,36);1H
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| InChIKey |
JODYKERTIDGXII-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