General Information of the Compound
| Compound ID |
CP0478268
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| Compound Name |
US9163012, 22
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| Structure |
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| Formula |
C20H26N2O4
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| Molecular Weight |
358.438
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| Canonical SMILES |
OC12CC3CC(C1)C(OC(=O)N1CCC(C1)c1cc[n+]([O-])cc1)C(C3)C2
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| InChI |
InChI=1S/C20H26N2O4/c23-19(21-4-1-15(12-21)14-2-5-22(25)6-3-14)26-18-16-7-13-8-17(18)11-20(24,9-13)10-16/h2-3,5-6,13,15-18,24H,1,4,7-12H2
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| InChIKey |
QYJRVXOBMULXMW-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