General Information of the Compound
| Compound ID |
CP0566793
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| Compound Name |
[2-[2-[2-(4-acetylpiperidin-1-yl)acetyl]-5-methyl-3,4-dihydropyrazol-3-yl]phenyl] acetate
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| Structure |
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| Formula |
C21H27N3O4
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| Molecular Weight |
385.464
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| Canonical SMILES |
CC(=O)Oc1ccccc1C1CC(C)=NN1C(=O)CN1CCC(CC1)C(C)=O
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| InChI |
InChI=1S/C21H27N3O4/c1-14-12-19(18-6-4-5-7-20(18)28-16(3)26)24(22-14)21(27)13-23-10-8-17(9-11-23)15(2)25/h4-7,17,19H,8-13H2,1-3H3
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| InChIKey |
ROKFADGFFFPUEW-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