General Information of the Compound
| Compound ID |
CP0777100
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| Compound Name |
4-methyl-3-(3-(4-(methylamino)-1,3,5-triazin-2-yl)pyridin-2-yloxy)-N-(2-(piperidin-1-yl)-5-(trifluoromethyl)phenyl)benzamide
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| Structure |
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| Formula |
C30H30F3N7O2
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| Molecular Weight |
577.611
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| Canonical SMILES |
CNc1ncnc(-c2cc(C)cnc2Oc2cc(C(=O)Nc3cc(C(F)(F)F)ccc3N3CCCCC3)ccc2C)n1
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| InChI |
InChI=1S/C30H30F3N7O2/c1-18-13-22(26-36-17-37-29(34-3)39-26)28(35-16-18)42-25-14-20(8-7-19(25)2)27(41)38-23-15-21(30(31,32)33)9-10-24(23)40-11-5-4-6-12-40/h7-10,13-17H,4-6,11-12H2,1-3H3,(H,38,41)(H,34,36,37,39)
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| InChIKey |
IVAVNCBIUFAQJJ-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