General Information of the Compound
| Compound ID |
CP0544401
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| Compound Name |
US9249096, 50
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| Structure |
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| Formula |
C21H19Cl2FN2O3
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| Molecular Weight |
437.298
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| Canonical SMILES |
OC1=C(CN(Cc2cccc(F)c2)C1=O)C(=O)NCCCc1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C21H19Cl2FN2O3/c22-17-7-6-13(10-18(17)23)4-2-8-25-20(28)16-12-26(21(29)19(16)27)11-14-3-1-5-15(24)9-14/h1,3,5-7,9-10,27H,2,4,8,11-12H2,(H,25,28)
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| InChIKey |
FTVYLRAZYAEKOB-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