General Information of the Compound
| Compound ID |
CP0559893
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| Compound Name |
US9266877, 181
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| Structure |
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| Formula |
C37H34N6O5S2
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| Molecular Weight |
706.85
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| Canonical SMILES |
CN(c1cccc(-c2ccc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)c1C#N)S(=O)(=O)C1CCCCC1
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| InChI |
InChI=1S/C37H34N6O5S2/c1-42(50(47,48)24-10-3-2-4-11-24)31-15-8-12-25(28(31)21-38)26-17-18-33(40-34(26)36(45)46)43-20-19-23-9-7-13-27(29(23)22-43)35(44)41-37-39-30-14-5-6-16-32(30)49-37/h5-9,12-18,24H,2-4,10-11,19-20,22H2,1H3,(H,45,46)(H,39,41,44)
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| InChIKey |
JANVUPFLGQSVCZ-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