General Information of the Compound
| Compound ID |
CP0492538
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| Compound Name |
US9067871, 32
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| Structure |
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| Formula |
C21H20Cl2N2O2
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| Molecular Weight |
403.309
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| Canonical SMILES |
CCOC(=O)NC1CCc2ccc(cc2C1Cc1ccc(Cl)c(Cl)c1)C#N
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| InChI |
InChI=1S/C21H20Cl2N2O2/c1-2-27-21(26)25-20-8-6-15-5-3-14(12-24)10-16(15)17(20)9-13-4-7-18(22)19(23)11-13/h3-5,7,10-11,17,20H,2,6,8-9H2,1H3,(H,25,26)
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| InChIKey |
OAERTTLQWFCLCB-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