General Information of the Compound
| Compound ID |
CP0018399
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| Compound Name |
(3,3-difluoroazetidin-1-yl)-[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]methanone
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| Structure |
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| Formula |
C22H19F2N5O
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| Molecular Weight |
407.424
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| Canonical SMILES |
Cn1cc(cn1)-c1ccc(Cc2n[nH]c3ccc(cc23)C(=O)N2CC(F)(F)C2)cc1
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| InChI |
InChI=1S/C22H19F2N5O/c1-28-11-17(10-25-28)15-4-2-14(3-5-15)8-20-18-9-16(6-7-19(18)26-27-20)21(30)29-12-22(23,24)13-29/h2-7,9-11H,8,12-13H2,1H3,(H,26,27)
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| InChIKey |
APIRNJQTJSYXTA-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