General Information of the Compound
| Compound ID |
CP0519910
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| Compound Name |
US9303045, 181
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| Structure |
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| Formula |
C21H22N4O3
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| Molecular Weight |
378.432
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| Canonical SMILES |
CN1C2COCC1CC(C2)OC(=O)c1cn(-c2cnccn2)c2ccccc12
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| InChI |
InChI=1S/C21H22N4O3/c1-24-14-8-16(9-15(24)13-27-12-14)28-21(26)18-11-25(20-10-22-6-7-23-20)19-5-3-2-4-17(18)19/h2-7,10-11,14-16H,8-9,12-13H2,1H3
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| InChIKey |
MLAZAWVPFPIKDR-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