General Information of the Compound
| Compound ID |
CP0493660
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| Compound Name |
3-((5-(2-(cyclopropylamino)pyrimidin-4-yl)-4-(4-fluorophenyl)-1H-imidazol-1-yl)methyl)benzamide
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| Structure |
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| Formula |
C24H21FN6O
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| Molecular Weight |
428.471
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| Canonical SMILES |
NC(=O)c1cccc(Cn2cnc(c2-c2ccnc(NC3CC3)n2)-c2ccc(F)cc2)c1
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| InChI |
InChI=1S/C24H21FN6O/c25-18-6-4-16(5-7-18)21-22(20-10-11-27-24(30-20)29-19-8-9-19)31(14-28-21)13-15-2-1-3-17(12-15)23(26)32/h1-7,10-12,14,19H,8-9,13H2,(H2,26,32)(H,27,29,30)
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| InChIKey |
QTYPWOVQOOTRAG-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