General Information of the Compound
| Compound ID |
CP0454481
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| Compound Name |
3-[(3,12-dioxo-13-oxa-4,11-diazatricyclo[14.2.2.16,10]henicosa-1(19),6(21),7,9,16(20),17-hexaen-2-yl)amino]benzamide
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| Structure |
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| Formula |
C25H24N4O4
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| Molecular Weight |
444.491
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| Canonical SMILES |
NC(=O)c1cccc(NC2c3ccc(CCOC(=O)Nc4cccc(CNC2=O)c4)cc3)c1
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| InChI |
InChI=1S/C25H24N4O4/c26-23(30)19-4-2-6-21(14-19)28-22-18-9-7-16(8-10-18)11-12-33-25(32)29-20-5-1-3-17(13-20)15-27-24(22)31/h1-10,13-14,22,28H,11-12,15H2,(H2,26,30)(H,27,31)(H,29,32)
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| InChIKey |
PZXFIUXZXJXYDG-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