General Information of the Compound
| Compound ID |
CP0861440
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| Compound Name |
N-(3-(Benzyloxy)phenyl)-(6-morpholinosulfonyl)-9H-pyrido[2,3-b]indol-4-amine
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| Structure |
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| Formula |
C28H26N4O4S
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| Molecular Weight |
514.607
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| Canonical SMILES |
O=S(=O)(c1ccc2[nH]c3nccc(Nc4cccc(OCc5ccccc5)c4)c3c2c1)N1CCOCC1
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| InChI |
InChI=1S/C28H26N4O4S/c33-37(34,32-13-15-35-16-14-32)23-9-10-25-24(18-23)27-26(11-12-29-28(27)31-25)30-21-7-4-8-22(17-21)36-19-20-5-2-1-3-6-20/h1-12,17-18H,13-16,19H2,(H2,29,30,31)
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| InChIKey |
XZEAOZFVSWZGLT-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