General Information of the Compound
| Compound ID |
CP0460055
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| Compound Name |
[5-(2,3-dichlorophenoxy)-1,3-dimethylpyrazol-4-yl]-[2-(1-methylimidazol-2-yl)piperidin-1-yl]methanone
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| Structure |
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| Formula |
C21H23Cl2N5O2
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| Molecular Weight |
448.354
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| Canonical SMILES |
Cc1nn(C)c(Oc2cccc(Cl)c2Cl)c1C(=O)N1CCCCC1c1nccn1C
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| InChI |
InChI=1S/C21H23Cl2N5O2/c1-13-17(21(27(3)25-13)30-16-9-6-7-14(22)18(16)23)20(29)28-11-5-4-8-15(28)19-24-10-12-26(19)2/h6-7,9-10,12,15H,4-5,8,11H2,1-3H3
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| InChIKey |
MPFLJARLVCMCTE-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