General Information of the Compound
| Compound ID |
CP0492523
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| Compound Name |
US8637501, 29
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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 |
CN1CCCc2c(C1)c1ccc(cc1n2C)-n1ccc(OCc2ccccc2)cc1=O
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| InChI |
InChI=1S/C26H27N3O2/c1-27-13-6-9-24-23(17-27)22-11-10-20(15-25(22)28(24)2)29-14-12-21(16-26(29)30)31-18-19-7-4-3-5-8-19/h3-5,7-8,10-12,14-16H,6,9,13,17-18H2,1-2H3
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| InChIKey |
FMGQUUVWGLSFKR-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