General Information of the Compound
| Compound ID |
CP0465620
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| Compound Name |
N-(2-hydroxyethyl)-1-[6-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]-2,3-dihydroindole-4-carboxamide
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| Formula |
C22H20F3N5O2
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| Molecular Weight |
443.429
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| Canonical SMILES |
OCCNC(=O)c1cccc2N(CCc12)c1cc(Nc2cccc(c2)C(F)(F)F)ncn1
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| InChI |
InChI=1S/C22H20F3N5O2/c23-22(24,25)14-3-1-4-15(11-14)29-19-12-20(28-13-27-19)30-9-7-16-17(5-2-6-18(16)30)21(32)26-8-10-31/h1-6,11-13,31H,7-10H2,(H,26,32)(H,27,28,29)
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| InChIKey |
HCEUAODDMPXUFF-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