General Information of the Compound
| Compound ID |
CP0465605
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| Compound Name |
N-(2-hydroxyethyl)-1-[6-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]-2,3-dihydroindole-4-carboxamide
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| Formula |
C23H21F3N4O2
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| Molecular Weight |
442.441
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| Canonical SMILES |
OCCNC(=O)c1cccc2N(CCc12)c1cc(Cc2ccccc2C(F)(F)F)ncn1
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| InChI |
InChI=1S/C23H21F3N4O2/c24-23(25,26)19-6-2-1-4-15(19)12-16-13-21(29-14-28-16)30-10-8-17-18(5-3-7-20(17)30)22(32)27-9-11-31/h1-7,13-14,31H,8-12H2,(H,27,32)
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| InChIKey |
FNEOMBOLDHWANK-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