General Information of the Compound
| Compound ID |
CP0526707
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| Compound Name |
2-[4-[[4-[2,4-bis(trifluoromethyl)phenoxy]phenyl]methyl-[(3,5-difluorophenyl)methyl]amino]-3,5-dibromophenyl]acetic acid
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| Structure |
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| Formula |
C30H19Br2F8NO3
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| Molecular Weight |
753.278
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| Canonical SMILES |
OC(=O)Cc1cc(Br)c(N(Cc2ccc(Oc3ccc(cc3C(F)(F)F)C(F)(F)F)cc2)Cc2cc(F)cc(F)c2)c(Br)c1
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| InChI |
InChI=1S/C30H19Br2F8NO3/c31-24-9-17(11-27(42)43)10-25(32)28(24)41(15-18-7-20(33)13-21(34)8-18)14-16-1-4-22(5-2-16)44-26-6-3-19(29(35,36)37)12-23(26)30(38,39)40/h1-10,12-13H,11,14-15H2,(H,42,43)
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| InChIKey |
YBJAQXUJBIZTGQ-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