General Information of the Compound
| Compound ID |
CP0553372
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| Compound Name |
4-chloro-N-[1-[1-[2-(trifluoromethyl)pyrimidin-4-yl]-2,3-dihydropyrrolo[3,2-b]pyridin-5-yl]cyclobutyl]benzamide
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| Formula |
C23H19ClF3N5O
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| Molecular Weight |
473.886
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| Canonical SMILES |
FC(F)(F)c1nccc(n1)N1CCc2nc(ccc12)C1(CCC1)NC(=O)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C23H19ClF3N5O/c24-15-4-2-14(3-5-15)20(33)31-22(10-1-11-22)18-7-6-17-16(29-18)9-13-32(17)19-8-12-28-21(30-19)23(25,26)27/h2-8,12H,1,9-11,13H2,(H,31,33)
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| InChIKey |
VGGFGUBBSFESIW-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