General Information of the Compound
| Compound ID |
CP0491664
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| Compound Name |
US8889724, ED
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| Structure |
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| Formula |
C18H20N4O2
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| Molecular Weight |
324.384
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| Canonical SMILES |
COc1ccc(Cc2nnn[nH]2)cc1OCc1c(C)cccc1C
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| InChI |
InChI=1S/C18H20N4O2/c1-12-5-4-6-13(2)15(12)11-24-17-9-14(7-8-16(17)23-3)10-18-19-21-22-20-18/h4-9H,10-11H2,1-3H3,(H,19,20,21,22)
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| InChIKey |
CWUFRHCAHLQODO-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