General Information of the Compound
| Compound ID |
CP0478782
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| Compound Name |
US9303045, 25
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| Structure |
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| Formula |
C20H20N4O3
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| Molecular Weight |
364.405
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| Canonical SMILES |
O=C(OC1CC2COCC(C1)N2)c1cn(-c2ncccn2)c2ccccc12
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| InChI |
InChI=1S/C20H20N4O3/c25-19(27-15-8-13-11-26-12-14(9-15)23-13)17-10-24(20-21-6-3-7-22-20)18-5-2-1-4-16(17)18/h1-7,10,13-15,23H,8-9,11-12H2
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| InChIKey |
VERAERUWSZFJSG-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