General Information of the Compound
| Compound ID |
CP0443233
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| Compound Name |
[5-(2,3-dichlorophenoxy)-1,3-dimethylpyrazol-4-yl]-[2-(2-methylphenyl)piperidin-1-yl]methanone
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| Structure |
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| Formula |
C24H25Cl2N3O2
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| Molecular Weight |
458.389
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| Canonical SMILES |
Cc1nn(C)c(Oc2cccc(Cl)c2Cl)c1C(=O)N1CCCCC1c1ccccc1C
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| InChI |
InChI=1S/C24H25Cl2N3O2/c1-15-9-4-5-10-17(15)19-12-6-7-14-29(19)23(30)21-16(2)27-28(3)24(21)31-20-13-8-11-18(25)22(20)26/h4-5,8-11,13,19H,6-7,12,14H2,1-3H3
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| InChIKey |
KNGJGFOPUCUOSP-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