General Information of the Compound
| Compound ID |
CP0483739
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| Compound Name |
1-[4-[[3-fluoro-5-(trifluoromethyl)phenyl]-hydroxymethyl]pyrimidin-2-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide
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| Formula |
C23H20F4N4O3
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| Molecular Weight |
476.43
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| Canonical SMILES |
OCCNC(=O)c1cccc2N(CCc12)c1nccc(n1)C(O)c1cc(F)cc(c1)C(F)(F)F
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| InChI |
InChI=1S/C23H20F4N4O3/c24-15-11-13(10-14(12-15)23(25,26)27)20(33)18-4-6-29-22(30-18)31-8-5-16-17(2-1-3-19(16)31)21(34)28-7-9-32/h1-4,6,10-12,20,32-33H,5,7-9H2,(H,28,34)
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| InChIKey |
HALHLDJMKQYAIR-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