General Information of the Compound
| Compound ID |
CP0549616
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| Compound Name |
4-N-(cyclopropylmethyl)-6-pyridin-2-yl-2-N-[[4-(trifluoromethoxy)phenyl]methyl]pyrimidine-2,4-diamine
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| Structure |
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| Formula |
C21H20F3N5O
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| Molecular Weight |
415.419
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| Canonical SMILES |
FC(F)(F)Oc1ccc(CNc2nc(NCC3CC3)cc(n2)-c2ccccn2)cc1
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| InChI |
InChI=1S/C21H20F3N5O/c22-21(23,24)30-16-8-6-15(7-9-16)13-27-20-28-18(17-3-1-2-10-25-17)11-19(29-20)26-12-14-4-5-14/h1-3,6-11,14H,4-5,12-13H2,(H2,26,27,28,29)
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| InChIKey |
INMKYWPKBFAKSH-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
Protein ID: PT05121, G-protein coupled receptor 39
Protein ID: PT03123, G-protein coupled receptor 39