General Information of the Compound
| Compound ID |
CP0375800
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| Compound Name |
2-(N-(2-chloro-1-oxoethyl)-3-methoxyanilino)-N-(2-phenylethyl)-2-thiophen-2-ylacetamide
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| Structure |
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| Formula |
C23H23ClN2O3S
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| Molecular Weight |
442.968
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| Canonical SMILES |
COc1cccc(c1)N(C(C(=O)NCCc1ccccc1)c1cccs1)C(=O)CCl
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| InChI |
InChI=1S/C23H23ClN2O3S/c1-29-19-10-5-9-18(15-19)26(21(27)16-24)22(20-11-6-14-30-20)23(28)25-13-12-17-7-3-2-4-8-17/h2-11,14-15,22H,12-13,16H2,1H3,(H,25,28)
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| InChIKey |
ASSYJPCLSRNQGT-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: PT01214, Tyrosine-protein kinase JAK2