General Information of the Compound
| Compound ID |
CP0523331
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| Compound Name |
US9266877, 18
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| Structure |
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| Formula |
C37H35N7O4S
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| Molecular Weight |
673.799
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| Canonical SMILES |
CN(C)CCOc1cccc(Cn2cc(cn2)-c2ccc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)c1
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| InChI |
InChI=1S/C37H35N7O4S/c1-42(2)17-18-48-27-9-5-7-24(19-27)21-44-22-26(20-38-44)28-13-14-33(40-34(28)36(46)47)43-16-15-25-8-6-10-29(30(25)23-43)35(45)41-37-39-31-11-3-4-12-32(31)49-37/h3-14,19-20,22H,15-18,21,23H2,1-2H3,(H,46,47)(H,39,41,45)
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| InChIKey |
ZQODOCMKSVFZBR-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