General Information of the Compound
| Compound ID |
CP0463913
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| Compound Name |
US9206164, 10
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| Structure |
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| Formula |
C21H20N4O2
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| Molecular Weight |
360.417
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| Canonical SMILES |
Cc1nn(Cc2ccc(cc2)-c2cc3ncccc3[nH]2)c(C)c1CC(O)=O
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| InChI |
InChI=1S/C21H20N4O2/c1-13-17(10-21(26)27)14(2)25(24-13)12-15-5-7-16(8-6-15)19-11-20-18(23-19)4-3-9-22-20/h3-9,11,23H,10,12H2,1-2H3,(H,26,27)
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| InChIKey |
ORRQMTYAWWTVAR-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