General Information of the Compound
| Compound ID |
CP0100749
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| Compound Name |
2-(4-chloro-N-(2-chloro-1-oxoethyl)anilino)-N-(2-phenylethyl)-2-thiophen-2-ylacetamide
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| Structure |
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| Formula |
C22H20Cl2N2O2S
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| Molecular Weight |
447.387
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| Canonical SMILES |
ClCC(=O)N(C(C(=O)NCCc1ccccc1)c1cccs1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C22H20Cl2N2O2S/c23-15-20(27)26(18-10-8-17(24)9-11-18)21(19-7-4-14-29-19)22(28)25-13-12-16-5-2-1-3-6-16/h1-11,14,21H,12-13,15H2,(H,25,28)
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| InChIKey |
IMWYYSDFZCXBLG-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