General Information of the Compound
| Compound ID |
CP0007521
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| Compound Name |
6-(2-methoxyphenyl)-N,N-bis(pyridin-2-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine
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| Structure |
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| Formula |
C24H20F3N5O
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| Molecular Weight |
451.452
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| Canonical SMILES |
COc1ccccc1-c1cc(nc(n1)C(F)(F)F)N(Cc1ccccn1)Cc1ccccn1
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| InChI |
InChI=1S/C24H20F3N5O/c1-33-21-11-3-2-10-19(21)20-14-22(31-23(30-20)24(25,26)27)32(15-17-8-4-6-12-28-17)16-18-9-5-7-13-29-18/h2-14H,15-16H2,1H3
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| InChIKey |
XBAKOSLCHFYXQV-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