General Information of the Compound
| Compound ID |
CP0176738
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| Compound Name |
5-chloro-N-[5-(4-methylpiperazin-1-yl)pyridin-2-yl]-4-[3-(trifluoromethyl)phenoxy]pyrimidin-2-amine
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| Formula |
C21H20ClF3N6O
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| Molecular Weight |
464.879
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| Canonical SMILES |
CN1CCN(CC1)c1ccc(Nc2ncc(Cl)c(Oc3cccc(c3)C(F)(F)F)n2)nc1
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| InChI |
InChI=1S/C21H20ClF3N6O/c1-30-7-9-31(10-8-30)15-5-6-18(26-12-15)28-20-27-13-17(22)19(29-20)32-16-4-2-3-14(11-16)21(23,24)25/h2-6,11-13H,7-10H2,1H3,(H,26,27,28,29)
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| InChIKey |
MONPBWNFYUPTME-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