General Information of the Compound
| Compound ID |
CP0562657
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| Compound Name |
US8912224, 51
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| Structure |
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| Formula |
C25H23FN4O3S
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| Molecular Weight |
478.549
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| Canonical SMILES |
Cc1c(CNC(=O)c2cnc(Oc3ccc4OC(CCc4c3)c3cccc(F)c3)s2)cnn1C
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| InChI |
InChI=1S/C25H23FN4O3S/c1-15-18(13-29-30(15)2)12-27-24(31)23-14-28-25(34-23)32-20-7-9-22-17(11-20)6-8-21(33-22)16-4-3-5-19(26)10-16/h3-5,7,9-11,13-14,21H,6,8,12H2,1-2H3,(H,27,31)
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| InChIKey |
HDMQSEMMPIULPV-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