General Information of the Compound
| Compound ID |
CP0070388
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| Compound Name |
Bisphenol A (BPA)
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| Synonyms |
BPA
bisphenol A
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| Structure |
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| Formula |
C15H16O2
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| Molecular Weight |
228.291
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| Canonical SMILES |
CC(C)(c1ccc(O)cc1)c1ccc(O)cc1
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| InChI |
InChI=1S/C15H16O2/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12/h3-10,16-17H,1-2H3
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| InChIKey |
IISBACLAFKSPIT-UHFFFAOYSA-N
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| CAS |
27100-33-0
80-05-7
137885-53-1
27360-89-0
28106-82-3
37808-08-5
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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
Cell-based Assay
Protein ID: PT00889, Estrogen receptor beta
Clinical Information about the Compound