General Information of the Compound
| Compound ID |
CP0518248
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| Compound Name |
US9035059, 14-35
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| Structure |
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| Formula |
C33H40FN3O5S
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| Molecular Weight |
609.764
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| Canonical SMILES |
CC(C)(C)c1ccc(NC(=O)N2CCc3cc(ccc3C2)S(=O)(=O)Nc2ccc(OCCC3CCOCC3)cc2F)cc1
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| InChI |
InChI=1S/C33H40FN3O5S/c1-33(2,3)26-5-7-27(8-6-26)35-32(38)37-16-12-24-20-29(10-4-25(24)22-37)43(39,40)36-31-11-9-28(21-30(31)34)42-19-15-23-13-17-41-18-14-23/h4-11,20-21,23,36H,12-19,22H2,1-3H3,(H,35,38)
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| InChIKey |
YBJGGVUYGFUOLD-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