General Information of the Compound
| Compound ID |
CP0522226
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| Compound Name |
US9303045, 162
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| Structure |
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| Formula |
C19H20FN5O2S
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| Molecular Weight |
401.467
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| Canonical SMILES |
CN1C2COCC1CC(C2)NC(=O)c1cn(-c2nccs2)c2ncc(F)cc12
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| InChI |
InChI=1S/C19H20FN5O2S/c1-24-13-5-12(6-14(24)10-27-9-13)23-18(26)16-8-25(19-21-2-3-28-19)17-15(16)4-11(20)7-22-17/h2-4,7-8,12-14H,5-6,9-10H2,1H3,(H,23,26)
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| InChIKey |
VRBYIQKJZRNKLG-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