General Information of the Compound
| Compound ID |
CP0517904
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| Compound Name |
US9169240, 88
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| Structure |
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| Formula |
C27H20F3N5O2S
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| Molecular Weight |
535.551
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| Canonical SMILES |
FC(F)(F)c1ccc(cc1)N1CCN(CC1)c1nnc(o1)C(=O)c1nc2ccc(cc2s1)-c1ccccc1
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| InChI |
InChI=1S/C27H20F3N5O2S/c28-27(29,30)19-7-9-20(10-8-19)34-12-14-35(15-13-34)26-33-32-24(37-26)23(36)25-31-21-11-6-18(16-22(21)38-25)17-4-2-1-3-5-17/h1-11,16H,12-15H2
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| InChIKey |
BRZKUTMMVSWQMB-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