General Information of the Compound
| Compound ID |
CP0481114
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| Compound Name |
[5-(3-chlorophenoxy)-1,3-dimethylpyrazol-4-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone
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| Structure |
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| Formula |
C22H23ClN4O2
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| Molecular Weight |
410.905
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| Canonical SMILES |
Cc1nn(C)c(Oc2cccc(Cl)c2)c1C(=O)N1CCCCC1c1cccnc1
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| InChI |
InChI=1S/C22H23ClN4O2/c1-15-20(22(26(2)25-15)29-18-9-5-8-17(23)13-18)21(28)27-12-4-3-10-19(27)16-7-6-11-24-14-16/h5-9,11,13-14,19H,3-4,10,12H2,1-2H3
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| InChIKey |
OLDJOUOYWYORKE-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