General Information of the Compound
| Compound ID |
CP0561335
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| Compound Name |
US9199981, F24
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| Structure |
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| Formula |
C22H20N6O4
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| Molecular Weight |
432.44
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| Canonical SMILES |
COC(=O)NC1(CC1)c1nc(no1)-c1ccc(C)c(NC(=O)c2cnc3ccccn23)c1
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| InChI |
InChI=1S/C22H20N6O4/c1-13-6-7-14(18-25-20(32-27-18)22(8-9-22)26-21(30)31-2)11-15(13)24-19(29)16-12-23-17-5-3-4-10-28(16)17/h3-7,10-12H,8-9H2,1-2H3,(H,24,29)(H,26,30)
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| InChIKey |
PEZHCCGPKBWAHP-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