General Information of the Compound
| Compound ID |
CP0457204
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| Compound Name |
2-Chloro-N-{4-[4-(2-chloro-acetylamino)-phenylsulfanyl]-phenyl}-acetamide
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| Structure |
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| Formula |
C16H14Cl2N2O2S
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| Molecular Weight |
369.273
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| Canonical SMILES |
ClCC(=O)Nc1ccc(Sc2ccc(NC(=O)CCl)cc2)cc1
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| InChI |
InChI=1S/C16H14Cl2N2O2S/c17-9-15(21)19-11-1-5-13(6-2-11)23-14-7-3-12(4-8-14)20-16(22)10-18/h1-8H,9-10H2,(H,19,21)(H,20,22)
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| InChIKey |
BNJPNTRUYDXTGI-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: PT06033, Microphthalmia-associated transcription factor