General Information of the Compound
| Compound ID |
CP0557557
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| Compound Name |
US8993565, 91
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| Structure |
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| Formula |
C18H20N4O4
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| Molecular Weight |
356.382
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| Canonical SMILES |
Oc1cccc2N(CCc12)C(=O)Cc1nc(cc(=O)[nH]1)N1CCOCC1
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| InChI |
InChI=1S/C18H20N4O4/c23-14-3-1-2-13-12(14)4-5-22(13)18(25)10-15-19-16(11-17(24)20-15)21-6-8-26-9-7-21/h1-3,11,23H,4-10H2,(H,19,20,24)
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| InChIKey |
UDIXFHRKVLTXHG-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