General Information of the Compound
| Compound ID |
CP0115839
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| Compound Name |
4-[N-(4-bromophenyl)-C-(4-hydroxyphenyl)carbonimidoyl]benzene-1,3-diol
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| Formula |
C19H14BrNO3
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| Molecular Weight |
384.229
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| Canonical SMILES |
Oc1ccc(cc1)C(=N/c1ccc(Br)cc1)\c1ccc(O)cc1O
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| InChI |
InChI=1S/C19H14BrNO3/c20-13-3-5-14(6-4-13)21-19(12-1-7-15(22)8-2-12)17-10-9-16(23)11-18(17)24/h1-11,22-24H/b21-19+
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| InChIKey |
IWLVKMBTKXUYBQ-XUTLUUPISA-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
Protein ID: PT00886, Estrogen receptor
Protein ID: PT00889, Estrogen receptor beta