General Information of the Compound
| Compound ID |
CP0463810
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| Compound Name |
2-[6-[(3R)-3-methylmorpholin-4-yl]-4-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]pyridin-2-yl]oxyethyl dihydrogen phosphate
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| Structure |
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| Formula |
C26H28F3N4O7P
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| Molecular Weight |
596.499
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| Canonical SMILES |
C[C@@H]1COCCN1c1cc(cc(OCCOP(O)(O)=O)n1)-c1cc(NC(=O)c2ccnc(c2)C(F)(F)F)ccc1C
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| InChI |
InChI=1S/C26H28F3N4O7P/c1-16-3-4-20(31-25(34)18-5-6-30-22(11-18)26(27,28)29)14-21(16)19-12-23(33-7-8-38-15-17(33)2)32-24(13-19)39-9-10-40-41(35,36)37/h3-6,11-14,17H,7-10,15H2,1-2H3,(H,31,34)(H2,35,36,37)/t17-/m1/s1
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| InChIKey |
GRCNDWGBNNVAGG-QGZVFWFLSA-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