General Information of the Compound
| Compound ID |
CP0378386
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| Compound Name |
2-Chloro-N-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-ylmethyl)-N-(4-chloro-phenyl)-acetamide
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| Structure |
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| Formula |
C19H16Cl3N3O
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| Molecular Weight |
408.716
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| Canonical SMILES |
Cc1nn(c(Cl)c1CN(C(=O)CCl)c1ccc(Cl)cc1)-c1ccccc1
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| InChI |
InChI=1S/C19H16Cl3N3O/c1-13-17(19(22)25(23-13)16-5-3-2-4-6-16)12-24(18(26)11-20)15-9-7-14(21)8-10-15/h2-10H,11-12H2,1H3
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| InChIKey |
SEBZYCZOQDPQHF-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
Protein ID: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06124, Paired box protein Pax-8