General Information of the Compound
| Compound ID |
CP0512067
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| Compound Name |
US9120756, 147
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| Structure |
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| Formula |
C19H13ClF5N3O2
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| Molecular Weight |
445.775
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| Canonical SMILES |
Oc1c(F)cc(CC(=O)NCc2cc(nn2-c2cccc(Cl)c2)C(F)(F)F)cc1F
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| InChI |
InChI=1S/C19H13ClF5N3O2/c20-11-2-1-3-12(7-11)28-13(8-16(27-28)19(23,24)25)9-26-17(29)6-10-4-14(21)18(30)15(22)5-10/h1-5,7-8,30H,6,9H2,(H,26,29)
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| InChIKey |
CSRRUYYNTUIVGK-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