General Information of the Compound
| Compound ID |
CP0560999
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| Compound Name |
US9266877, 61
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| Structure |
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| Formula |
C34H25F3N6O3S
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| Molecular Weight |
654.674
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| Canonical SMILES |
OC(=O)c1nc(ccc1-c1cnn(Cc2cccc(c2)C(F)(F)F)c1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
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| InChI |
InChI=1S/C34H25F3N6O3S/c35-34(36,37)23-7-3-5-20(15-23)17-43-18-22(16-38-43)24-11-12-29(40-30(24)32(45)46)42-14-13-21-6-4-8-25(26(21)19-42)31(44)41-33-39-27-9-1-2-10-28(27)47-33/h1-12,15-16,18H,13-14,17,19H2,(H,45,46)(H,39,41,44)
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| InChIKey |
CDWPYUDXUVZEQD-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