General Information of the Compound
| Compound ID |
CP0563842
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| Compound Name |
US8993565, 140
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| Structure |
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| Formula |
C18H20N4O6
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| Molecular Weight |
388.38
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| Canonical SMILES |
COC(=O)c1cccc(NC(=O)Cc2nc(cc(=O)[nH]2)N2CCOCC2)c1O
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| InChI |
InChI=1S/C18H20N4O6/c1-27-18(26)11-3-2-4-12(17(11)25)19-15(23)9-13-20-14(10-16(24)21-13)22-5-7-28-8-6-22/h2-4,10,25H,5-9H2,1H3,(H,19,23)(H,20,21,24)
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| InChIKey |
ZGLLAPIDFCDRSZ-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