General Information of the Compound
| Compound ID |
CP0953333
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| Compound Name |
N-(3-Ethoxyphenyl)-(6-morpholinosulfonyl)-9H-pyrido[2,3-b]indol-4-amine
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| Structure |
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| Formula |
C23H24N4O4S
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| Molecular Weight |
452.536
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| Canonical SMILES |
CCOc1cccc(Nc2ccnc3[nH]c4ccc(S(=O)(=O)N5CCOCC5)cc4c23)c1
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| InChI |
InChI=1S/C23H24N4O4S/c1-2-31-17-5-3-4-16(14-17)25-21-8-9-24-23-22(21)19-15-18(6-7-20(19)26-23)32(28,29)27-10-12-30-13-11-27/h3-9,14-15H,2,10-13H2,1H3,(H2,24,25,26)
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| InChIKey |
PKGIIXGGPMSMFX-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