General Information of the Compound
| Compound ID |
CP0712228
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| Compound Name |
4-[trans-4-[2-(3-Benzylazetidin-1-yl)-2-oxo-ethyl]-cyclohexyl]-3-methyl-2,7-dihydropyrazolo[3,4-b]pyridin-6-one
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| Formula |
C25H30N4O2
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| Molecular Weight |
418.541
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| Canonical SMILES |
Cc1[nH]nc2[nH]c(=O)cc([C@H]3CC[C@H](CC(=O)N4CC(Cc5ccccc5)C4)CC3)c12
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| InChI |
InChI=1S/C25H30N4O2/c1-16-24-21(13-22(30)26-25(24)28-27-16)20-9-7-18(8-10-20)12-23(31)29-14-19(15-29)11-17-5-3-2-4-6-17/h2-6,13,18-20H,7-12,14-15H2,1H3,(H2,26,27,28,30)/t18-,20-
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| InChIKey |
SXEUSRBRPAJJFS-KESTWPANSA-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