General Information of the Compound
| Compound ID |
CP0536814
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| Compound Name |
US9216968, 54
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| Structure |
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| Formula |
C25H19ClF3N3O3
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| Molecular Weight |
501.892
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| Canonical SMILES |
CCc1nc2c(cc(NC(=O)c3ccccc3C(F)(F)F)cc2o1)C(=O)Nc1cccc(Cl)c1C
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| InChI |
InChI=1S/C25H19ClF3N3O3/c1-3-21-32-22-16(24(34)31-19-10-6-9-18(26)13(19)2)11-14(12-20(22)35-21)30-23(33)15-7-4-5-8-17(15)25(27,28)29/h4-12H,3H2,1-2H3,(H,30,33)(H,31,34)
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| InChIKey |
XKAAOALCHORXMQ-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