General Information of the Compound
| Compound ID |
CP0063615
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| Compound Name |
US9353093, 5
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| Structure |
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| Formula |
C22H16ClFN4O2
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| Molecular Weight |
422.847
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| Canonical SMILES |
NC(=O)n1c(cc2ccccc12)-c1ccc(NC(=O)Nc2ccc(F)c(Cl)c2)cc1
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| InChI |
InChI=1S/C22H16ClFN4O2/c23-17-12-16(9-10-18(17)24)27-22(30)26-15-7-5-13(6-8-15)20-11-14-3-1-2-4-19(14)28(20)21(25)29/h1-12H,(H2,25,29)(H2,26,27,30)
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| InChIKey |
IJAYHJGVTCMSHM-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