General Information of the Compound
| Compound ID |
CP0575267
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| Compound Name |
2,2-dimethyl-1-[3-(1-methylpiperidin-4-yl)-3,4-dihydropyrazol-2-yl]propan-1-one
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| Structure |
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| Formula |
C14H25N3O
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| Molecular Weight |
251.374
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| Canonical SMILES |
CN1CCC(CC1)C1CC=NN1C(=O)C(C)(C)C
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| InChI |
InChI=1S/C14H25N3O/c1-14(2,3)13(18)17-12(5-8-15-17)11-6-9-16(4)10-7-11/h8,11-12H,5-7,9-10H2,1-4H3
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| InChIKey |
PDMPQYCWBIXSBS-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