General Information of the Compound
| Compound ID |
CP0556161
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| Compound Name |
US9266877, 73
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| Structure |
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| Formula |
C34H32F2N6O3S
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| Molecular Weight |
642.732
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| Canonical SMILES |
Cc1c(cnn1CC1CCC(F)(F)CC1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
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| InChI |
InChI=1S/C34H32F2N6O3S/c1-20-25(17-37-42(20)18-21-11-14-34(35,36)15-12-21)23-9-10-29(39-30(23)32(44)45)41-16-13-22-5-4-6-24(26(22)19-41)31(43)40-33-38-27-7-2-3-8-28(27)46-33/h2-10,17,21H,11-16,18-19H2,1H3,(H,44,45)(H,38,40,43)
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| InChIKey |
LMZHBWGNZZCTAM-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