General Information of the Compound
| Compound ID |
CP0577778
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| Compound Name |
US8993565, 55
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| Structure |
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| Formula |
C18H22N4O5
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| Molecular Weight |
374.397
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| Canonical SMILES |
OCCOc1cccc(NC(=O)Cc2nc(cc(=O)[nH]2)N2CCOCC2)c1
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| InChI |
InChI=1S/C18H22N4O5/c23-6-9-27-14-3-1-2-13(10-14)19-17(24)11-15-20-16(12-18(25)21-15)22-4-7-26-8-5-22/h1-3,10,12,23H,4-9,11H2,(H,19,24)(H,20,21,25)
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| InChIKey |
RBYONONYUPSFAF-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