General Information of the Compound
| Compound ID |
CP0021298
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| Compound Name |
(3,3-difluoropyrrolidin-1-yl)-[3-[(1-methylindazol-5-yl)methyl]-2H-indazol-5-yl]methanone
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| Structure |
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| Formula |
C21H19F2N5O
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| Molecular Weight |
395.413
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| Canonical SMILES |
Cn1ncc2cc(Cc3n[nH]c4ccc(cc34)C(=O)N3CCC(F)(F)C3)ccc12
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| InChI |
InChI=1S/C21H19F2N5O/c1-27-19-5-2-13(8-15(19)11-24-27)9-18-16-10-14(3-4-17(16)25-26-18)20(29)28-7-6-21(22,23)12-28/h2-5,8,10-11H,6-7,9,12H2,1H3,(H,25,26)
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| InChIKey |
LJDCQQGXLNPEAO-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