General Information of the Compound
| Compound ID |
CP0525367
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| Compound Name |
5-chloro-N-[1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperidin-4-yl]-6-methyl-2-pyridin-2-ylpyrimidin-4-amine
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| Structure |
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| Formula |
C21H19Cl2F3N6
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| Molecular Weight |
483.325
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| Canonical SMILES |
Cc1nc(nc(NC2CCN(CC2)c2ncc(cc2Cl)C(F)(F)F)c1Cl)-c1ccccn1
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| InChI |
InChI=1S/C21H19Cl2F3N6/c1-12-17(23)19(31-18(29-12)16-4-2-3-7-27-16)30-14-5-8-32(9-6-14)20-15(22)10-13(11-28-20)21(24,25)26/h2-4,7,10-11,14H,5-6,8-9H2,1H3,(H,29,30,31)
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| InChIKey |
NKOKQUJHLXEFFS-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