General Information of the Compound
| Compound ID |
CP0692983
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| Compound Name |
rac-3-Methyl-4-[(1S*,2R*)-2-methylcyclohexyl]-2,7-dihydropyrazolo[3,4-b]pyridin-6-one
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| Structure |
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| Formula |
C14H19N3O
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| Molecular Weight |
245.326
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| Canonical SMILES |
Cc1[nH]nc2[nH]c(=O)cc([C@H]3CCCC[C@H]3C)c12
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| InChI |
InChI=1S/C14H19N3O/c1-8-5-3-4-6-10(8)11-7-12(18)15-14-13(11)9(2)16-17-14/h7-8,10H,3-6H2,1-2H3,(H2,15,16,17,18)/t8-,10+/m1/s1
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| InChIKey |
ISZNDMVFJQJILW-SCZZXKLOSA-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