General Information of the Compound
| Compound ID |
CP0448940
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| Compound Name |
[5-(2-chloro-4-methylphenoxy)-1,3-dimethylpyrazol-4-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone
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| Structure |
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| Formula |
C23H25ClN4O2
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| Molecular Weight |
424.932
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| Canonical SMILES |
Cc1nn(C)c(Oc2ccc(C)cc2Cl)c1C(=O)N1CCCCC1c1cccnc1
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| InChI |
InChI=1S/C23H25ClN4O2/c1-15-9-10-20(18(24)13-15)30-23-21(16(2)26-27(23)3)22(29)28-12-5-4-8-19(28)17-7-6-11-25-14-17/h6-7,9-11,13-14,19H,4-5,8,12H2,1-3H3
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| InChIKey |
HPHQFQWTWYYJPY-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