General Information of the Compound
| Compound ID |
CP0096186
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| Compound Name |
N-(2-hydroxy-2-phenylethyl)-6-[4-[2-(trifluoromethoxy)benzoyl]piperidin-1-yl]pyridazine-3-carboxamide
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| Structure |
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| Formula |
C26H25F3N4O4
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| Molecular Weight |
514.504
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| Canonical SMILES |
OC(CNC(=O)c1ccc(nn1)N1CCC(CC1)C(=O)c1ccccc1OC(F)(F)F)c1ccccc1
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| InChI |
InChI=1S/C26H25F3N4O4/c27-26(28,29)37-22-9-5-4-8-19(22)24(35)18-12-14-33(15-13-18)23-11-10-20(31-32-23)25(36)30-16-21(34)17-6-2-1-3-7-17/h1-11,18,21,34H,12-16H2,(H,30,36)
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| InChIKey |
GTAOGLKFEWOPTJ-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