General Information of the Compound
| Compound ID |
CP0414561
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| Compound Name |
US9249096, 208
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| Structure |
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| Formula |
C15H16Cl2N2O3
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| Molecular Weight |
343.21
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| Canonical SMILES |
CN1CC(C(=O)NCCCc2c(Cl)cccc2Cl)=C(O)C1=O
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| InChI |
InChI=1S/C15H16Cl2N2O3/c1-19-8-10(13(20)15(19)22)14(21)18-7-3-4-9-11(16)5-2-6-12(9)17/h2,5-6,20H,3-4,7-8H2,1H3,(H,18,21)
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| InChIKey |
LFBGEXVUCCLJOR-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