General Information of the Compound
| Compound ID |
CP0572369
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| Compound Name |
US9035059, 18-26
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| Structure |
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| Formula |
C29H31F4N3O4S
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| Molecular Weight |
593.643
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| Canonical SMILES |
CC(C)(C)c1ccc(NC(=O)N2Cc3ccc(cc3C2)S(=O)(=O)Nc2ccc(OCCCC(F)(F)F)cc2F)cc1
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| InChI |
InChI=1S/C29H31F4N3O4S/c1-28(2,3)21-6-8-22(9-7-21)34-27(37)36-17-19-5-11-24(15-20(19)18-36)41(38,39)35-26-12-10-23(16-25(26)30)40-14-4-13-29(31,32)33/h5-12,15-16,35H,4,13-14,17-18H2,1-3H3,(H,34,37)
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| InChIKey |
PPQQPVLAPIEPEO-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