General Information of the Compound
| Compound ID |
CP0007013
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| Compound Name |
US9777008, Compound 114
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| Structure |
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| Formula |
C26H27N3O2
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| Molecular Weight |
413.521
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| Canonical SMILES |
Cn1cc2ccc(cc2n1)-c1cccc(OCC(O)CN2CCc3ccccc3C2)c1
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| InChI |
InChI=1S/C26H27N3O2/c1-28-15-23-10-9-21(14-26(23)27-28)20-7-4-8-25(13-20)31-18-24(30)17-29-12-11-19-5-2-3-6-22(19)16-29/h2-10,13-15,24,30H,11-12,16-18H2,1H3
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| InChIKey |
FITUROXCOXJFBG-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