General Information of the Compound
| Compound ID |
CP0173795
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| Compound Name |
US9340555, 12
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| Structure |
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| Formula |
C26H23FN8O3S
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| Molecular Weight |
546.588
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| Canonical SMILES |
Cc1ccc(F)c(NC(=O)Nc2ccc(Oc3ccnc4cc(sc34)C(=O)NCCCc3nn[nH]n3)cc2)c1
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| InChI |
InChI=1S/C26H23FN8O3S/c1-15-4-9-18(27)19(13-15)31-26(37)30-16-5-7-17(8-6-16)38-21-10-12-28-20-14-22(39-24(20)21)25(36)29-11-2-3-23-32-34-35-33-23/h4-10,12-14H,2-3,11H2,1H3,(H,29,36)(H2,30,31,37)(H,32,33,34,35)
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| InChIKey |
UQRZISCZHYAQAL-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