General Information of the Compound
| Compound ID |
CP0506879
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| Compound Name |
US8912224, 343
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| Structure |
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| Formula |
C23H23FN2O3S
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| Molecular Weight |
426.513
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| Canonical SMILES |
CCCNC(=O)c1cnc(Oc2ccc3OC(CCc3c2)c2cc(F)ccc2C)s1
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| InChI |
InChI=1S/C23H23FN2O3S/c1-3-10-25-22(27)21-13-26-23(30-21)28-17-7-9-19-15(11-17)5-8-20(29-19)18-12-16(24)6-4-14(18)2/h4,6-7,9,11-13,20H,3,5,8,10H2,1-2H3,(H,25,27)
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| InChIKey |
MMPUZLZVNDIMDW-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