General Information of the Compound
| Compound ID |
CP0516244
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| Compound Name |
US9067935, 29
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| Structure |
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| Formula |
C21H13Cl2F4N3O2S
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| Molecular Weight |
518.319
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| Canonical SMILES |
Fc1cc(CN(c2nc3ccc(Cl)cn3c2Cl)S(=O)(=O)c2ccccc2)ccc1C(F)(F)F
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| InChI |
InChI=1S/C21H13Cl2F4N3O2S/c22-14-7-9-18-28-20(19(23)29(18)12-14)30(33(31,32)15-4-2-1-3-5-15)11-13-6-8-16(17(24)10-13)21(25,26)27/h1-10,12H,11H2
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| InChIKey |
GPFIBUKMGCCXMO-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