General Information of the Compound
| Compound ID |
CP0101164
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| Compound Name |
2-tert-butyl-1'-[3-(trifluoromethyl)-2H-indazole-5-carbonyl]spiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one
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| Structure |
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| Formula |
C23H25F3N6O2
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| Molecular Weight |
474.487
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| Canonical SMILES |
CC(C)(C)n1cc2CC3(CCN(CC3)C(=O)c3ccc4[nH]nc(c4c3)C(F)(F)F)NC(=O)c2n1
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| InChI |
InChI=1S/C23H25F3N6O2/c1-21(2,3)32-12-14-11-22(27-19(33)17(14)30-32)6-8-31(9-7-22)20(34)13-4-5-16-15(10-13)18(29-28-16)23(24,25)26/h4-5,10,12H,6-9,11H2,1-3H3,(H,27,33)(H,28,29)
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| InChIKey |
UFLZNSPAWUYFIQ-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