General Information of the Compound
| Compound ID |
CP0523922
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| Compound Name |
US9266877, 164
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| Structure |
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| Formula |
C36H33N7O3S
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| Molecular Weight |
643.773
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| Canonical SMILES |
CN(C1CCCCC1)c1nccc(-c2ccc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)c1C#N
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| InChI |
InChI=1S/C36H33N7O3S/c1-42(23-9-3-2-4-10-23)33-27(20-37)24(16-18-38-33)25-14-15-31(40-32(25)35(45)46)43-19-17-22-8-7-11-26(28(22)21-43)34(44)41-36-39-29-12-5-6-13-30(29)47-36/h5-8,11-16,18,23H,2-4,9-10,17,19,21H2,1H3,(H,45,46)(H,39,41,44)
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| InChIKey |
QSIUMYFNRAHVLO-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