General Information of the Compound
| Compound ID |
CP0535590
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| Compound Name |
US8912224, 342
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| Structure |
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| Formula |
C22H21FN2O4S
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| Molecular Weight |
428.485
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| Canonical SMILES |
Cc1ccc(F)cc1C1CCc2cc(Oc3ncc(s3)C(=O)NCCO)ccc2O1
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| InChI |
InChI=1S/C22H21FN2O4S/c1-13-2-4-15(23)11-17(13)19-6-3-14-10-16(5-7-18(14)29-19)28-22-25-12-20(30-22)21(27)24-8-9-26/h2,4-5,7,10-12,19,26H,3,6,8-9H2,1H3,(H,24,27)
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| InChIKey |
ASOCGOYSMCISKT-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