General Information of the Compound
| Compound ID |
CP0353045
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| Compound Name |
US10647665, Example 1-15
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| Structure |
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| Formula |
C23H17Cl2F3N2O4
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| Molecular Weight |
513.299
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| Canonical SMILES |
OC(=O)Cc1ccc(CNC(=O)Nc2cc(Cl)c(c(Cl)c2)-c2ccccc2OC(F)(F)F)cc1
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| InChI |
InChI=1S/C23H17Cl2F3N2O4/c24-17-10-15(30-22(33)29-12-14-7-5-13(6-8-14)9-20(31)32)11-18(25)21(17)16-3-1-2-4-19(16)34-23(26,27)28/h1-8,10-11H,9,12H2,(H,31,32)(H2,29,30,33)
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| InChIKey |
ZBAVYJYWRYFFEJ-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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