General Information of the Compound
| Compound ID |
CP0913981
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| Compound Name |
1-(4-(3-chlorophenylamino)-9H-pyrido[2,3-b]indol-6-yl)ethanone
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| Structure |
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| Formula |
C19H14ClN3O
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| Molecular Weight |
335.794
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| Canonical SMILES |
CC(=O)c1ccc2[nH]c3nccc(Nc4cccc(Cl)c4)c3c2c1
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| InChI |
InChI=1S/C19H14ClN3O/c1-11(24)12-5-6-16-15(9-12)18-17(7-8-21-19(18)23-16)22-14-4-2-3-13(20)10-14/h2-10H,1H3,(H2,21,22,23)
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| InChIKey |
AUUINTJCBZOBLI-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: PT00859, Protein-tyrosine kinase 6
Protein ID: PT01233, Receptor tyrosine-protein kinase erbB-2