General Information of the Compound
| Compound ID |
CP0556661
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| Compound Name |
US9067935, 36
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| Structure |
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| Formula |
C22H17ClF3N3O3S
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| Molecular Weight |
495.91
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| Canonical SMILES |
Cc1c(nc2ccc(Cl)cn12)N(Cc1ccc(OC(F)(F)F)cc1)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C22H17ClF3N3O3S/c1-15-21(27-20-12-9-17(23)14-28(15)20)29(33(30,31)19-5-3-2-4-6-19)13-16-7-10-18(11-8-16)32-22(24,25)26/h2-12,14H,13H2,1H3
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| InChIKey |
ADKXXZGMYCUBQK-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