General Information of the Compound
| Compound ID |
CP0875725
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| Compound Name |
N-(3-Methoxyphenyl)-(6-morpholinosulfonyl)-9H-pyrido[2,3-b]indol-4-amine
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| Structure |
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| Formula |
C22H22N4O4S
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| Molecular Weight |
438.509
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| Canonical SMILES |
COc1cccc(Nc2ccnc3[nH]c4ccc(S(=O)(=O)N5CCOCC5)cc4c23)c1
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| InChI |
InChI=1S/C22H22N4O4S/c1-29-16-4-2-3-15(13-16)24-20-7-8-23-22-21(20)18-14-17(5-6-19(18)25-22)31(27,28)26-9-11-30-12-10-26/h2-8,13-14H,9-12H2,1H3,(H2,23,24,25)
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| InChIKey |
IWZKDJIORIJLPV-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