General Information of the Compound
| Compound ID |
CP0479871
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| Compound Name |
US9035059, 23-2
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| Structure |
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| Formula |
C37H44FN3O3S
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| Molecular Weight |
629.842
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| Canonical SMILES |
CC(N1CCc2cc(ccc2C1)S(=O)(=O)Nc1ccc(OCCCCCc2ccccc2)cc1F)c1ccc(nc1)C(C)(C)C
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| InChI |
InChI=1S/C37H44FN3O3S/c1-27(30-15-19-36(39-25-30)37(2,3)4)41-21-20-29-23-33(17-14-31(29)26-41)45(42,43)40-35-18-16-32(24-34(35)38)44-22-10-6-9-13-28-11-7-5-8-12-28/h5,7-8,11-12,14-19,23-25,27,40H,6,9-10,13,20-22,26H2,1-4H3
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| InChIKey |
XLUJEMSFMRKHBX-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