General Information of the Compound
| Compound ID |
CP0544402
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| Compound Name |
US9249096, 235
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| Structure |
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| Formula |
C21H20Cl2N2O3
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| Molecular Weight |
419.308
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| Canonical SMILES |
CN1CC(C(=O)NC(CCc2ccc(Cl)c(Cl)c2)c2ccccc2)=C(O)C1=O
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| InChI |
InChI=1S/C21H20Cl2N2O3/c1-25-12-15(19(26)21(25)28)20(27)24-18(14-5-3-2-4-6-14)10-8-13-7-9-16(22)17(23)11-13/h2-7,9,11,18,26H,8,10,12H2,1H3,(H,24,27)
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| InChIKey |
VPYLKFQPBRAZQH-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