General Information of the Compound
| Compound ID |
CP0491657
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| Compound Name |
US9303045, 86
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| Structure |
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| Formula |
C18H21FN2O4S
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| Molecular Weight |
380.441
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| Canonical SMILES |
CN1C2CCC1CC(C2)OC(=O)c1cn(c2ccc(F)cc12)S(C)(=O)=O
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| InChI |
InChI=1S/C18H21FN2O4S/c1-20-12-4-5-13(20)9-14(8-12)25-18(22)16-10-21(26(2,23)24)17-6-3-11(19)7-15(16)17/h3,6-7,10,12-14H,4-5,8-9H2,1-2H3
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| InChIKey |
XBCUJRRSTVBXQA-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