General Information of the Compound
| Compound ID |
CP0451524
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| Compound Name |
US9409917, 93
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| Structure |
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| Formula |
C18H18Cl2N2O4
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| Molecular Weight |
397.258
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| Canonical SMILES |
OCCOCc1cc(Cl)cc(Cl)c1CNC(=O)C1COc2ncccc12
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| InChI |
InChI=1S/C18H18Cl2N2O4/c19-12-6-11(9-25-5-4-23)14(16(20)7-12)8-22-17(24)15-10-26-18-13(15)2-1-3-21-18/h1-3,6-7,15,23H,4-5,8-10H2,(H,22,24)
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| InChIKey |
XOMZGLXVHMQEEG-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