General Information of the Compound
| Compound ID |
CP0861439
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| Compound Name |
1-(4-(3-nitrophenylamino)-9H-pyrido[2,3-b]indol-6-yl)ethanone
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| Structure |
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| Formula |
C19H14N4O3
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| Molecular Weight |
346.346
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| Canonical SMILES |
CC(=O)c1ccc2[nH]c3nccc(Nc4cccc([N+](=O)[O-])c4)c3c2c1
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| InChI |
InChI=1S/C19H14N4O3/c1-11(24)12-5-6-16-15(9-12)18-17(7-8-20-19(18)22-16)21-13-3-2-4-14(10-13)23(25)26/h2-10H,1H3,(H2,20,21,22)
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| InChIKey |
VCHPXQWCAXPYAS-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