General Information of the Compound
| Compound ID |
CP0405790
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| Compound Name |
2-[4-[3,3-bis(4-bromophenyl)prop-2-enoxy]-3-chlorophenyl]acetic acid
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| Structure |
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| Formula |
C23H17Br2ClO3
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| Molecular Weight |
536.647
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| Canonical SMILES |
OC(=O)Cc1ccc(OCC=C(c2ccc(Br)cc2)c2ccc(Br)cc2)c(Cl)c1
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| InChI |
InChI=1S/C23H17Br2ClO3/c24-18-6-2-16(3-7-18)20(17-4-8-19(25)9-5-17)11-12-29-22-10-1-15(13-21(22)26)14-23(27)28/h1-11,13H,12,14H2,(H,27,28)
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| InChIKey |
ONOWLZHMISYVLA-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