General Information of the Compound
| Compound ID |
CP0551347
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| Compound Name |
US8952008, 26
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| Structure |
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| Formula |
C23H20F2N4O2S
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| Molecular Weight |
454.502
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| Canonical SMILES |
CCS(=O)(=O)c1ccc(c(F)c1)-c1cc(ccc1F)-c1cnnc2n(cnc12)C1CCC1
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| InChI |
InChI=1S/C23H20F2N4O2S/c1-2-32(30,31)16-7-8-17(21(25)11-16)18-10-14(6-9-20(18)24)19-12-27-28-23-22(19)26-13-29(23)15-4-3-5-15/h6-13,15H,2-5H2,1H3
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| InChIKey |
KLBMYBGRAWBIRM-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