General Information of the Compound
| Compound ID |
CP0489557
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| Compound Name |
1-[4-(3-phenyl-3,4-dihydropyrazole-2-carbonyl)piperidin-1-yl]propan-1-one
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| Structure |
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| Formula |
C18H23N3O2
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| Molecular Weight |
313.401
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| Canonical SMILES |
CCC(=O)N1CCC(CC1)C(=O)N1N=CCC1c1ccccc1
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| InChI |
InChI=1S/C18H23N3O2/c1-2-17(22)20-12-9-15(10-13-20)18(23)21-16(8-11-19-21)14-6-4-3-5-7-14/h3-7,11,15-16H,2,8-10,12-13H2,1H3
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| InChIKey |
NPQTZWCXRAEOHK-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