General Information of the Compound
| Compound ID |
CP0451664
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| Compound Name |
US9266883, 80
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| Structure |
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| Formula |
C20H22N6O4
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| Molecular Weight |
410.434
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| Canonical SMILES |
COCCNc1cc(NC(=O)N2CCCc3cc(CO)c(C=O)nc23)ncc1C#N
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| InChI |
InChI=1S/C20H22N6O4/c1-30-6-4-22-16-8-18(23-10-15(16)9-21)25-20(29)26-5-2-3-13-7-14(11-27)17(12-28)24-19(13)26/h7-8,10,12,27H,2-6,11H2,1H3,(H2,22,23,25,29)
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| InChIKey |
SYRAVIOIIKVUFT-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