General Information of the Compound
| Compound ID |
CP0556887
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| Compound Name |
US9216972, 33
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| Structure |
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| Formula |
C26H18ClN3O2
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| Molecular Weight |
439.902
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| Canonical SMILES |
Oc1ccc2-c3noc(-c4cc(-c5ccccc5Cl)n(n4)-c4ccccc4)c3CCc2c1
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| InChI |
InChI=1S/C26H18ClN3O2/c27-22-9-5-4-8-20(22)24-15-23(28-30(24)17-6-2-1-3-7-17)26-21-12-10-16-14-18(31)11-13-19(16)25(21)29-32-26/h1-9,11,13-15,31H,10,12H2
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| InChIKey |
NOQZDIRKGZYORY-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