General Information of the Compound
| Compound ID |
CP0561751
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| Compound Name |
5-[4-(hydroxymethyl)piperidin-1-yl]-2-phenylmethoxy-N-pyridazin-4-ylbenzamide
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| Structure |
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| Formula |
C24H26N4O3
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| Molecular Weight |
418.497
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| Canonical SMILES |
OCC1CCN(CC1)c1ccc(OCc2ccccc2)c(c1)C(=O)Nc1ccnnc1
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| InChI |
InChI=1S/C24H26N4O3/c29-16-18-9-12-28(13-10-18)21-6-7-23(31-17-19-4-2-1-3-5-19)22(14-21)24(30)27-20-8-11-25-26-15-20/h1-8,11,14-15,18,29H,9-10,12-13,16-17H2,(H,25,27,30)
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| InChIKey |
KEXNTDQOVSKRJI-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