General Information of the Compound
| Compound ID |
CP0883982
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| Compound Name |
3-(((4-(Aminomethyl)-6-(trifluoromethyl)pyridin-2-yl)amino)methyl)-N-phenylbenzamide hydrochloride
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| Structure |
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| Formula |
C21H20ClF3N4O
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| Molecular Weight |
436.865
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| Canonical SMILES |
Cl.NCc1cc(NCc2cccc(C(=O)Nc3ccccc3)c2)nc(C(F)(F)F)c1
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| InChI |
InChI=1S/C21H19F3N4O.ClH/c22-21(23,24)18-10-15(12-25)11-19(28-18)26-13-14-5-4-6-16(9-14)20(29)27-17-7-2-1-3-8-17;/h1-11H,12-13,25H2,(H,26,28)(H,27,29);1H
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| InChIKey |
QGFRPRBJGZDVCN-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