General Information of the Compound
Compound ID |
CP0913982
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Compound Name |
2-(4-(4-(3-Ethoxyphenylamino)-9H-pyrido[2,3-b]indol-6-ylsulfonyl)piperazin-1-yl)ethanol
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Structure |
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Formula |
C25H29N5O4S
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Molecular Weight |
495.605
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Canonical SMILES |
CCOc1cccc(Nc2ccnc3[nH]c4ccc(S(=O)(=O)N5CCN(CCO)CC5)cc4c23)c1
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InChI |
InChI=1S/C25H29N5O4S/c1-2-34-19-5-3-4-18(16-19)27-23-8-9-26-25-24(23)21-17-20(6-7-22(21)28-25)35(32,33)30-12-10-29(11-13-30)14-15-31/h3-9,16-17,31H,2,10-15H2,1H3,(H2,26,27,28)
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InChIKey |
WPTTVYYKSYXMJP-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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