General Information of the Compound
| Compound ID |
CP0576892
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| Compound Name |
US9278960, 2-35
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| Structure |
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| Formula |
C21H16FN3O4
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| Molecular Weight |
393.374
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| Canonical SMILES |
NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3C(=O)COCC3=O)cc2n1
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| InChI |
InChI=1S/C21H16FN3O4/c22-14-4-2-13(3-5-14)16-8-18(21(23)28)24-17-7-12(1-6-15(16)17)9-25-19(26)10-29-11-20(25)27/h1-8H,9-11H2,(H2,23,28)
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| InChIKey |
KNRBAMJMEOPLDS-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