General Information of the Compound
| Compound ID |
CP0561075
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| Compound Name |
US9120756, 117
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| Structure |
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| Formula |
C21H18ClF4N3O
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| Molecular Weight |
439.84
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| Canonical SMILES |
CC(C)(C(=O)NCc1cc(nn1-c1cccc(Cl)c1)C(F)(F)F)c1cccc(F)c1
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| InChI |
InChI=1S/C21H18ClF4N3O/c1-20(2,13-5-3-7-15(23)9-13)19(30)27-12-17-11-18(21(24,25)26)28-29(17)16-8-4-6-14(22)10-16/h3-11H,12H2,1-2H3,(H,27,30)
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| InChIKey |
RKPSUORPLJGACA-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