General Information of the Compound
| Compound ID |
CP0550492
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| Compound Name |
US8969325, 21
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| Structure |
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| Formula |
C22H19ClF3N3O3
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| Molecular Weight |
465.859
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| Canonical SMILES |
Cn1c2cccc(NC(=O)N[C@@H]3CC(CF)(CF)Oc4c(F)c(Cl)ccc34)c2ccc1=O
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| InChI |
InChI=1S/C22H19ClF3N3O3/c1-29-17-4-2-3-15(12(17)6-8-18(29)30)27-21(31)28-16-9-22(10-24,11-25)32-20-13(16)5-7-14(23)19(20)26/h2-8,16H,9-11H2,1H3,(H2,27,28,31)/t16-/m1/s1
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| InChIKey |
YLDRMKYFBRPWNB-MRXNPFEDSA-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