General Information of the Compound
| Compound ID |
CP0538005
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| Compound Name |
5-(4-hydroxypiperidin-1-yl)-2-phenylmethoxy-N-pyridazin-4-ylbenzamide
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| Structure |
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| Formula |
C23H24N4O3
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| Molecular Weight |
404.47
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| Canonical SMILES |
OC1CCN(CC1)c1ccc(OCc2ccccc2)c(c1)C(=O)Nc1ccnnc1
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| InChI |
InChI=1S/C23H24N4O3/c28-20-9-12-27(13-10-20)19-6-7-22(30-16-17-4-2-1-3-5-17)21(14-19)23(29)26-18-8-11-24-25-15-18/h1-8,11,14-15,20,28H,9-10,12-13,16H2,(H,24,26,29)
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| InChIKey |
AWBFKQBDZYCFSP-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