General Information of the Compound
| Compound ID |
CP0098371
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| Compound Name |
US9340555, 13
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| Structure |
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| Formula |
C25H21FN8O3S
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| Molecular Weight |
532.561
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| Canonical SMILES |
Cc1ccc(F)c(NC(=O)Nc2ccc(Oc3ccnc4cc(sc34)C(=O)NCCc3nn[nH]n3)cc2)c1
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| InChI |
InChI=1S/C25H21FN8O3S/c1-14-2-7-17(26)18(12-14)30-25(36)29-15-3-5-16(6-4-15)37-20-8-10-27-19-13-21(38-23(19)20)24(35)28-11-9-22-31-33-34-32-22/h2-8,10,12-13H,9,11H2,1H3,(H,28,35)(H2,29,30,36)(H,31,32,33,34)
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| InChIKey |
LJWDDKOCLWIIHJ-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