General Information of the Compound
| Compound ID |
CP0474219
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| Compound Name |
US8853206, 47
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| Structure |
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| Formula |
C26H36N5O4+
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| Molecular Weight |
482.605
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| Canonical SMILES |
CCC(CC)Oc1ccc2[n+](CC(=O)c3cc(OC)cc(OCC4CCCCC4)c3)nc(N)n2n1
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| InChI |
InChI=1S/C26H36N5O4/c1-4-20(5-2)35-24-11-12-25-30(29-26(27)31(25)28-24)16-23(32)19-13-21(33-3)15-22(14-19)34-17-18-9-7-6-8-10-18/h11-15,18,20H,4-10,16-17H2,1-3H3,(H2,27,29)/q+1
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| InChIKey |
JDJRYXWCRMVGLN-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