General Information of the Compound
| Compound ID |
CP0471292
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| Compound Name |
US9422235, 43
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| Structure |
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| Formula |
C18H15ClF3N3O2S
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| Molecular Weight |
429.851
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| Canonical SMILES |
FC(F)(F)c1cc(Nc2ccc(cc2Cl)C#N)ccc1S(=O)(=O)NCC1CC1
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| InChI |
InChI=1S/C18H15ClF3N3O2S/c19-15-7-12(9-23)3-5-16(15)25-13-4-6-17(14(8-13)18(20,21)22)28(26,27)24-10-11-1-2-11/h3-8,11,24-25H,1-2,10H2
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| InChIKey |
OEAPZJRTUHPZNF-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