General Information of the Compound
| Compound ID |
CP0552731
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| Compound Name |
1-[6-[fluoro-[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide
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| Formula |
C23H19F5N4O2
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| Molecular Weight |
478.421
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| Canonical SMILES |
OCCNC(=O)c1cccc2N(CCc12)c1cc(ncn1)C(F)c1cc(F)cc(c1)C(F)(F)F
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| InChI |
InChI=1S/C23H19F5N4O2/c24-15-9-13(8-14(10-15)23(26,27)28)21(25)18-11-20(31-12-30-18)32-6-4-16-17(2-1-3-19(16)32)22(34)29-5-7-33/h1-3,8-12,21,33H,4-7H2,(H,29,34)
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| InChIKey |
DKVOBHZIUFBIHG-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