General Information of the Compound
| Compound ID |
CP0565016
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| Compound Name |
US9035059, 18-21
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| Structure |
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| Formula |
C34H33F4N3O5S
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| Molecular Weight |
671.713
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| Canonical SMILES |
CC(C)(C)c1ccc(NC(=O)N2Cc3ccc(cc3C2)S(=O)(=O)Nc2ccc(OCCOc3cccc(c3)C(F)(F)F)cc2F)cc1
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| InChI |
InChI=1S/C34H33F4N3O5S/c1-33(2,3)24-8-10-26(11-9-24)39-32(42)41-20-22-7-13-29(17-23(22)21-41)47(43,44)40-31-14-12-28(19-30(31)35)46-16-15-45-27-6-4-5-25(18-27)34(36,37)38/h4-14,17-19,40H,15-16,20-21H2,1-3H3,(H,39,42)
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| InChIKey |
AHEKVTOKGBMMJK-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