General Information of the Compound
| Compound ID |
CP0531748
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| Compound Name |
4-(4-fluorobutyl)-7-hydroxy-N-(3-hydroxy-1-adamantyl)-2-methyl-5-oxopyrazolo[4,3-b]pyridine-6-carboxamide
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| Structure |
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| Formula |
C22H29FN4O4
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| Molecular Weight |
432.496
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| Canonical SMILES |
Cn1cc2n(CCCCF)c(=O)c(C(=O)NC34CC5CC(CC(O)(C5)C3)C4)c(O)c2n1
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| InChI |
InChI=1S/C22H29FN4O4/c1-26-11-15-17(25-26)18(28)16(20(30)27(15)5-3-2-4-23)19(29)24-21-7-13-6-14(8-21)10-22(31,9-13)12-21/h11,13-14,28,31H,2-10,12H2,1H3,(H,24,29)
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| InChIKey |
LATGMFONIXJPBN-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