General Information of the Compound
| Compound ID |
CP0567956
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| Compound Name |
1-(2-methyl-1-oxoisoquinolin-5-yl)-3-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)pyridin-3-yl]methyl]urea
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| Formula |
C24H26F3N5O2
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| Molecular Weight |
473.499
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| Canonical SMILES |
CC1CCN(CC1)c1nc(ccc1CNC(=O)Nc1cccc2c1ccn(C)c2=O)C(F)(F)F
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| InChI |
InChI=1S/C24H26F3N5O2/c1-15-8-12-32(13-9-15)21-16(6-7-20(30-21)24(25,26)27)14-28-23(34)29-19-5-3-4-18-17(19)10-11-31(2)22(18)33/h3-7,10-11,15H,8-9,12-14H2,1-2H3,(H2,28,29,34)
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| InChIKey |
DBLKIUUMNQRJTJ-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