General Information of the Compound
| Compound ID |
CP0693222
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| Compound Name |
3-[trans-4-(3-Methyl-6-oxo-2,7-dihydropyrazolo[3,4-b]-pyridin-4-yl)cyclohexyl]propanenitrile
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| Formula |
C16H20N4O
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| Molecular Weight |
284.363
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| Canonical SMILES |
Cc1[nH]nc2[nH]c(=O)cc([C@H]3CC[C@H](CCC#N)CC3)c12
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| InChI |
InChI=1S/C16H20N4O/c1-10-15-13(9-14(21)18-16(15)20-19-10)12-6-4-11(5-7-12)3-2-8-17/h9,11-12H,2-7H2,1H3,(H2,18,19,20,21)/t11-,12-
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| InChIKey |
YAFSTBFCDFDTKH-HAQNSBGRSA-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