General Information of the Compound
| Compound ID |
CP0451912
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| Compound Name |
US8912224, 30
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| Structure |
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| Formula |
C26H20F3N3O3S
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| Molecular Weight |
511.525
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| Canonical SMILES |
FC(F)(F)c1nc(Oc2ccc3OC(CCc3c2)c2ccccc2)sc1C(=O)NCc1ccncc1
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| InChI |
InChI=1S/C26H20F3N3O3S/c27-26(28,29)23-22(24(33)31-15-16-10-12-30-13-11-16)36-25(32-23)34-19-7-9-21-18(14-19)6-8-20(35-21)17-4-2-1-3-5-17/h1-5,7,9-14,20H,6,8,15H2,(H,31,33)
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| InChIKey |
JXUSHUQJOZKVPW-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