General Information of the Compound
| Compound ID |
CP0262124
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| Compound Name |
US9266883, 25
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| Structure |
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| Formula |
C20H20N6O3
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| Molecular Weight |
392.419
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| Canonical SMILES |
O=Cc1ccc2CCCN(C(=O)Nc3cc(N4CCOCC4)c(cn3)C#N)c2n1
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| InChI |
InChI=1S/C20H20N6O3/c21-11-15-12-22-18(10-17(15)25-6-8-29-9-7-25)24-20(28)26-5-1-2-14-3-4-16(13-27)23-19(14)26/h3-4,10,12-13H,1-2,5-9H2,(H,22,24,28)
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| InChIKey |
LLGVSBQJQDXICA-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