General Information of the Compound
| Compound ID |
CP0882227
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| Compound Name |
3-(((6-(Aminomethyl)pyrimidin-4-yl)amino)methyl)-N-(3-(trifluoromethyl)phenyl)benzamide hydrochloride
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| Structure |
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| Formula |
C20H19ClF3N5O
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| Molecular Weight |
437.853
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| Canonical SMILES |
Cl.NCc1cc(NCc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)ncn1
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| InChI |
InChI=1S/C20H18F3N5O.ClH/c21-20(22,23)15-5-2-6-16(8-15)28-19(29)14-4-1-3-13(7-14)11-25-18-9-17(10-24)26-12-27-18;/h1-9,12H,10-11,24H2,(H,28,29)(H,25,26,27);1H
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| InChIKey |
QGZCBDAAIARLEV-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