General Information of the Compound
| Compound ID |
CP0531826
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| Compound Name |
US8889668, I2
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| Structure |
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| Formula |
C19H18N4O5
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| Molecular Weight |
382.376
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| Canonical SMILES |
COc1ccccc1-c1noc(n1)-c1ccc(N2CCOCC2)c(c1)[N+]([O-])=O
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| InChI |
InChI=1S/C19H18N4O5/c1-26-17-5-3-2-4-14(17)18-20-19(28-21-18)13-6-7-15(16(12-13)23(24)25)22-8-10-27-11-9-22/h2-7,12H,8-11H2,1H3
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| InChIKey |
MAKFPPUUOOTNOS-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