General Information of the Compound
| Compound ID |
CP0812653
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| Compound Name |
4-[trans-4-[2-(4,4-Dimethyl-1-piperidyl)-2-oxo-ethyl]-cyclohexyl]-3-methyl-2,7-dihydropyrazolo[3,4-b]pyridin-6-one
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| Formula |
C22H32N4O2
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| Molecular Weight |
384.524
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| Canonical SMILES |
Cc1[nH]nc2[nH]c(=O)cc([C@H]3CC[C@H](CC(=O)N4CCC(C)(C)CC4)CC3)c12
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| InChI |
InChI=1S/C22H32N4O2/c1-14-20-17(13-18(27)23-21(20)25-24-14)16-6-4-15(5-7-16)12-19(28)26-10-8-22(2,3)9-11-26/h13,15-16H,4-12H2,1-3H3,(H2,23,24,25,27)/t15-,16-
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| InChIKey |
ZPDYGMNVYLLBBB-WKILWMFISA-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