General Information of the Compound
| Compound ID |
CP0172690
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| Compound Name |
N-(4-chlorophenyl)-2-[2-(6-methyl-5,6-dihydro-1,3-benzodioxol-4-yl)ethyl]pyrazole-3-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 |
CC1CC(CCn2nccc2C(=O)Nc2ccc(Cl)cc2)=C2OCOC2=C1
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| InChI |
InChI=1S/C20H20ClN3O3/c1-13-10-14(19-18(11-13)26-12-27-19)7-9-24-17(6-8-22-24)20(25)23-16-4-2-15(21)3-5-16/h2-6,8,11,13H,7,9-10,12H2,1H3,(H,23,25)
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| InChIKey |
SWFNWUPRJMPYDW-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