General Information of the Compound
| Compound ID |
CP0908158
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| Compound Name |
2-(4-(4-(3-Methoxyphenylamino)-9H-pyrido[2,3-b]indol-6-ylsulfonyl)piperazin-1-yl)ethanol
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| Structure |
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| Formula |
C24H27N5O4S
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| Molecular Weight |
481.578
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| Canonical SMILES |
COc1cccc(Nc2ccnc3[nH]c4ccc(S(=O)(=O)N5CCN(CCO)CC5)cc4c23)c1
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| InChI |
InChI=1S/C24H27N5O4S/c1-33-18-4-2-3-17(15-18)26-22-7-8-25-24-23(22)20-16-19(5-6-21(20)27-24)34(31,32)29-11-9-28(10-12-29)13-14-30/h2-8,15-16,30H,9-14H2,1H3,(H2,25,26,27)
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| InChIKey |
PUKNKXZDTFQUDJ-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