General Information of the Compound
| Compound ID |
CP0901647
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| Compound Name |
3-((4-(Aminomethyl)-6-(trifluoromethyl)pyridin-2-yl)methyl)-6-methyl-1-(pyrimidin-4-ylmethyl)pyrimidine-2,4(1H,3H)-dione hydrochloride
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| Structure |
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| Formula |
C18H18ClF3N6O2
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| Molecular Weight |
442.829
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| Canonical SMILES |
Cc1cc(=O)n(Cc2cc(CN)cc(C(F)(F)F)n2)c(=O)n1Cc1ccncn1.Cl
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| InChI |
InChI=1S/C18H17F3N6O2.ClH/c1-11-4-16(28)27(17(29)26(11)8-13-2-3-23-10-24-13)9-14-5-12(7-22)6-15(25-14)18(19,20)21;/h2-6,10H,7-9,22H2,1H3;1H
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| InChIKey |
JTJOOISZSQOZBF-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