General Information of the Compound
| Compound ID |
CP0565655
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| Compound Name |
US8952008, 22
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| Structure |
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| Formula |
C22H18F2N4O2S
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| Molecular Weight |
440.475
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| Canonical SMILES |
CCS(=O)(=O)c1ccc(c(F)c1)-c1cc(ccc1F)-c1cnnc2n(cnc12)C1CC1
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| InChI |
InChI=1S/C22H18F2N4O2S/c1-2-31(29,30)15-6-7-16(20(24)10-15)17-9-13(3-8-19(17)23)18-11-26-27-22-21(18)25-12-28(22)14-4-5-14/h3,6-12,14H,2,4-5H2,1H3
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| InChIKey |
CHDRFSOETOBLIT-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