General Information of the Compound
| Compound ID |
CP0539133
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| Compound Name |
US9266877, 53
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| Structure |
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| Formula |
C33H24F2N6O3S
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| Molecular Weight |
622.657
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| Canonical SMILES |
OC(=O)c1nc(ccc1-c1cnn(Cc2cc(F)cc(F)c2)c1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
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| InChI |
InChI=1S/C33H24F2N6O3S/c34-22-12-19(13-23(35)14-22)16-41-17-21(15-36-41)24-8-9-29(38-30(24)32(43)44)40-11-10-20-4-3-5-25(26(20)18-40)31(42)39-33-37-27-6-1-2-7-28(27)45-33/h1-9,12-15,17H,10-11,16,18H2,(H,43,44)(H,37,39,42)
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| InChIKey |
XDCXMFFOTDHZLV-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