General Information of the Compound
| Compound ID |
CP0549399
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| Compound Name |
US9409917, 33
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| Structure |
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| Formula |
C22H20N2O3
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| Molecular Weight |
360.413
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| Canonical SMILES |
O=C(NCc1ccc(Oc2ccccc2)cc1)C1CCOc2ncccc12
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| InChI |
InChI=1S/C22H20N2O3/c25-21(19-12-14-26-22-20(19)7-4-13-23-22)24-15-16-8-10-18(11-9-16)27-17-5-2-1-3-6-17/h1-11,13,19H,12,14-15H2,(H,24,25)
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| InChIKey |
ZTYMSNJZLMPYMB-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