General Information of the Compound
| Compound ID |
CP0333741
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| Compound Name |
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-hexadecylpyrazole-3-carboxamide
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| Structure |
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| Formula |
C32H42Cl3N3O
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| Molecular Weight |
591.067
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| Canonical SMILES |
CCCCCCCCCCCCCCCCNC(=O)c1cc(-c2ccc(Cl)cc2)n(n1)-c1ccc(Cl)cc1Cl
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| InChI |
InChI=1S/C32H42Cl3N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22-36-32(39)29-24-31(25-16-18-26(33)19-17-25)38(37-29)30-21-20-27(34)23-28(30)35/h16-21,23-24H,2-15,22H2,1H3,(H,36,39)
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| InChIKey |
MYQBDEHSVXOBHO-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