General Information of the Compound
| Compound ID |
CP0535591
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| Compound Name |
US8912224, 360
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| Structure |
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| Formula |
C22H21FN2O5S
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| Molecular Weight |
444.484
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| Canonical SMILES |
COc1cccc(C2CCc3cc(Oc4ncc(s4)C(=O)NCCO)ccc3O2)c1F
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| InChI |
InChI=1S/C22H21FN2O5S/c1-28-18-4-2-3-15(20(18)23)17-7-5-13-11-14(6-8-16(13)30-17)29-22-25-12-19(31-22)21(27)24-9-10-26/h2-4,6,8,11-12,17,26H,5,7,9-10H2,1H3,(H,24,27)
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| InChIKey |
UKIZAAHNYTZERW-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