General Information of the Compound
| Compound ID |
CP0555175
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| Compound Name |
US9067935, 84
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| Structure |
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| Formula |
C24H21BrF3N5O4S
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| Molecular Weight |
612.428
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| Canonical SMILES |
FC(F)(F)Oc1ccc(CN(c2nc3ccccn3c2Br)S(=O)(=O)c2ccc(nc2)N2CCOCC2)cc1
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| InChI |
InChI=1S/C24H21BrF3N5O4S/c25-22-23(30-21-3-1-2-10-32(21)22)33(16-17-4-6-18(7-5-17)37-24(26,27)28)38(34,35)19-8-9-20(29-15-19)31-11-13-36-14-12-31/h1-10,15H,11-14,16H2
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| InChIKey |
MXOPAGPILSMITL-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