General Information of the Compound
| Compound ID |
CP0881139
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| Compound Name |
4-(4-chlorophenyl)-1-((3-(4-methoxyphenyl)-1H-pyrazol-4-yl)methyl)piperidin-4-ol
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| Structure |
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| Formula |
C22H24ClN3O2
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| Molecular Weight |
397.906
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| Canonical SMILES |
COc1ccc(-c2[nH]ncc2CN2CCC(O)(c3ccc(Cl)cc3)CC2)cc1
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| InChI |
InChI=1S/C22H24ClN3O2/c1-28-20-8-2-16(3-9-20)21-17(14-24-25-21)15-26-12-10-22(27,11-13-26)18-4-6-19(23)7-5-18/h2-9,14,27H,10-13,15H2,1H3,(H,24,25)
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| InChIKey |
JACFQTMRYXXVCX-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
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06172, Mothers against decapentaplegic homolog 3