General Information of the Compound
| Compound ID |
CP0460053
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| Compound Name |
N-butan-2-yl-5-(2,3-dichlorophenoxy)-1,3-dimethyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
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| Structure |
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| Formula |
C22H24Cl2N4O2
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| Molecular Weight |
447.366
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| Canonical SMILES |
CCC(C)N(Cc1cccnc1)C(=O)c1c(C)nn(C)c1Oc1cccc(Cl)c1Cl
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| InChI |
InChI=1S/C22H24Cl2N4O2/c1-5-14(2)28(13-16-8-7-11-25-12-16)21(29)19-15(3)26-27(4)22(19)30-18-10-6-9-17(23)20(18)24/h6-12,14H,5,13H2,1-4H3
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| InChIKey |
QRKDKZKWZYMXRV-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