General Information of the Compound
| Compound ID |
CP0701645
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| Compound Name |
[trans-4-(3-Methyl-6-oxo-2,7-dihydropyrazolo[3,4-b]-pyridin-4-yl)cyclohexyl] (1S)-2,2-difluorocyclopropanecarboxylate
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| Formula |
C17H19F2N3O3
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| Molecular Weight |
351.353
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| Canonical SMILES |
Cc1[nH]nc2[nH]c(=O)cc([C@H]3CC[C@H](OC(=O)[C@@H]4CC4(F)F)CC3)c12
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| InChI |
InChI=1S/C17H19F2N3O3/c1-8-14-11(6-13(23)20-15(14)22-21-8)9-2-4-10(5-3-9)25-16(24)12-7-17(12,18)19/h6,9-10,12H,2-5,7H2,1H3,(H2,20,21,22,23)/t9-,10-,12-/m0/s1
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| InChIKey |
BIIGDQLBRHHTPY-NHCYSSNCSA-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