General Information of the Compound
| Compound ID |
CP0512381
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| Compound Name |
1-[3-(2-hydroxyphenyl)-5-methyl-3,4-dihydropyrazol-2-yl]-2-piperidin-1-ylethanone
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| Structure |
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| Formula |
C17H23N3O2
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| Molecular Weight |
301.39
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| Canonical SMILES |
CC1=NN(C(C1)c1ccccc1O)C(=O)CN1CCCCC1
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| InChI |
InChI=1S/C17H23N3O2/c1-13-11-15(14-7-3-4-8-16(14)21)20(18-13)17(22)12-19-9-5-2-6-10-19/h3-4,7-8,15,21H,2,5-6,9-12H2,1H3
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| InChIKey |
BBYKISRIEPFPOC-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