General Information of the Compound
| Compound ID |
CP0506968
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| Compound Name |
US8993565, 84
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| Structure |
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| Formula |
C18H18N4O4
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| Molecular Weight |
354.366
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| Canonical SMILES |
O=C(Cc1nc(cc(=O)[nH]1)N1CCOCC1)Nc1cccc2occc12
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| InChI |
InChI=1S/C18H18N4O4/c23-17(19-13-2-1-3-14-12(13)4-7-26-14)10-15-20-16(11-18(24)21-15)22-5-8-25-9-6-22/h1-4,7,11H,5-6,8-10H2,(H,19,23)(H,20,21,24)
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| InChIKey |
XAWMALSKQAAOHB-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