General Information of the Compound
| Compound ID |
CP0203349
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| Compound Name |
3-isopropyl-N-(3-(3-(4-(methylamino)-1,3,5-triazin-2-yl)pyridin-2-yloxy)phenyl)benzamide
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| Structure |
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| Formula |
C25H24N6O2
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| Molecular Weight |
440.507
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| Canonical SMILES |
CNc1ncnc(n1)-c1cccnc1Oc1cccc(NC(=O)c2cccc(c2)C(C)C)c1
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| InChI |
InChI=1S/C25H24N6O2/c1-16(2)17-7-4-8-18(13-17)23(32)30-19-9-5-10-20(14-19)33-24-21(11-6-12-27-24)22-28-15-29-25(26-3)31-22/h4-16H,1-3H3,(H,30,32)(H,26,28,29,31)
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| InChIKey |
ROJPTCGXRHNIRD-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