General Information of the Compound
| Compound ID |
CP0552730
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| Compound Name |
1-[6-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]-N-(3-hydroxypropyl)-2,3-dihydroindole-4-carboxamide
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| Formula |
C24H22F4N4O2
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| Molecular Weight |
474.458
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| Canonical SMILES |
OCCCNC(=O)c1cccc2N(CCc12)c1cc(Cc2cc(F)cc(c2)C(F)(F)F)ncn1
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| InChI |
InChI=1S/C24H22F4N4O2/c25-17-10-15(9-16(12-17)24(26,27)28)11-18-13-22(31-14-30-18)32-7-5-19-20(3-1-4-21(19)32)23(34)29-6-2-8-33/h1,3-4,9-10,12-14,33H,2,5-8,11H2,(H,29,34)
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| InChIKey |
OYPNJWZMFIGSSF-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