General Information of the Compound
| Compound ID |
CP0563847
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| Compound Name |
US9266877, 74
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| Structure |
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| Formula |
C34H31F3N6O3S
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| Molecular Weight |
660.722
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| Canonical SMILES |
OC(=O)c1nc(ccc1-c1cnn(CC2(CCCCC2)C(F)(F)F)c1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
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| InChI |
InChI=1S/C34H31F3N6O3S/c35-34(36,37)33(14-4-1-5-15-33)20-43-18-22(17-38-43)23-11-12-28(40-29(23)31(45)46)42-16-13-21-7-6-8-24(25(21)19-42)30(44)41-32-39-26-9-2-3-10-27(26)47-32/h2-3,6-12,17-18H,1,4-5,13-16,19-20H2,(H,45,46)(H,39,41,44)
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| InChIKey |
DODOFCVXBIOAIP-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