General Information of the Compound
| Compound ID |
CP0549960
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| Compound Name |
US8889668, I1
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| Structure |
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| Formula |
C20H20N4O4
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| Molecular Weight |
380.404
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| Canonical SMILES |
COc1ccccc1-c1noc(n1)-c1ccc(N2CCCCC2)c(c1)[N+]([O-])=O
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| InChI |
InChI=1S/C20H20N4O4/c1-27-18-8-4-3-7-15(18)19-21-20(28-22-19)14-9-10-16(17(13-14)24(25)26)23-11-5-2-6-12-23/h3-4,7-10,13H,2,5-6,11-12H2,1H3
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| InChIKey |
VWZGVLNVDHRGPL-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