General Information of the Compound
| Compound ID |
CP0545799
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| Compound Name |
US9249096, 46
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| Structure |
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| Formula |
C18H22Cl2N2O3
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| Molecular Weight |
385.291
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| Canonical SMILES |
CCCCN1CC(C(=O)NCCCc2ccc(Cl)c(Cl)c2)=C(O)C1=O
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| InChI |
InChI=1S/C18H22Cl2N2O3/c1-2-3-9-22-11-13(16(23)18(22)25)17(24)21-8-4-5-12-6-7-14(19)15(20)10-12/h6-7,10,23H,2-5,8-9,11H2,1H3,(H,21,24)
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| InChIKey |
HUCLTXHWXFAGPM-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