General Information of the Compound
| Compound ID |
CP0144473
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| Compound Name |
1-(3,4-dimethoxyphenethyl)-N-(4-chlorophenyl)-1H-pyrazole-5-carboxamide
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| Structure |
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| Formula |
C20H20ClN3O3
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| Molecular Weight |
385.851
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| Canonical SMILES |
COc1ccc(CCn2nccc2C(=O)Nc2ccc(Cl)cc2)cc1OC
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| InChI |
InChI=1S/C20H20ClN3O3/c1-26-18-8-3-14(13-19(18)27-2)10-12-24-17(9-11-22-24)20(25)23-16-6-4-15(21)5-7-16/h3-9,11,13H,10,12H2,1-2H3,(H,23,25)
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| InChIKey |
JPFXCNWNCKMRRB-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