General Information of the Compound
| Compound ID |
CP0512378
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| Compound Name |
[2-[5-methyl-2-[2-(2-methylpiperidin-1-yl)acetyl]-3,4-dihydropyrazol-3-yl]phenyl] acetate
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| Structure |
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| Formula |
C20H27N3O3
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| Molecular Weight |
357.454
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| Canonical SMILES |
CC1CCCCN1CC(=O)N1N=C(C)CC1c1ccccc1OC(C)=O
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| InChI |
InChI=1S/C20H27N3O3/c1-14-12-18(17-9-4-5-10-19(17)26-16(3)24)23(21-14)20(25)13-22-11-7-6-8-15(22)2/h4-5,9-10,15,18H,6-8,11-13H2,1-3H3
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| InChIKey |
ABQIAKCWWIJKJZ-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