General Information of the Compound
| Compound ID |
CP0509750
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| Compound Name |
2-[4-[benzyl-[(4-phenoxyphenyl)methyl]amino]-3,5-dibromophenyl]acetic acid
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| Structure |
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| Formula |
C28H23Br2NO3
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| Molecular Weight |
581.304
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| Canonical SMILES |
OC(=O)Cc1cc(Br)c(N(Cc2ccccc2)Cc2ccc(Oc3ccccc3)cc2)c(Br)c1
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| InChI |
InChI=1S/C28H23Br2NO3/c29-25-15-22(17-27(32)33)16-26(30)28(25)31(18-20-7-3-1-4-8-20)19-21-11-13-24(14-12-21)34-23-9-5-2-6-10-23/h1-16H,17-19H2,(H,32,33)
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| InChIKey |
PKGWOGITJLTBQS-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