General Information of the Compound
| Compound ID |
CP0741284
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| Compound Name |
bromosulphophthalein
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| Synonyms |
BSP
bromsulphthalein
sulfobromophthalein
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| Structure |
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| Formula |
C20H8Br4Na2O10S2
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| Molecular Weight |
838.004
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| Canonical SMILES |
O=C1OC(c2ccc(O)c(S(=O)(=O)[O-])c2)(c2ccc(O)c(S(=O)(=O)[O-])c2)c2c(Br)c(Br)c(Br)c(Br)c21.[Na+].[Na+]
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| InChI |
InChI=1S/C20H10Br4O10S2.2Na/c21-15-13-14(16(22)18(24)17(15)23)20(34-19(13)27,7-1-3-9(25)11(5-7)35(28,29)30)8-2-4-10(26)12(6-8)36(31,32)33;;/h1-6,25-26H,(H,28,29,30)(H,31,32,33);;/q;2*+1/p-2
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| InChIKey |
GHAFORRTMVIXHS-UHFFFAOYSA-L
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| CAS |
297-83-6
51176-96-6
71-67-0
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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: PT06095, Hepatic sodium/bile acid cotransporter
Protein ID: PT06164, Hepatic sodium/bile acid cotransporter
Protein ID: PT06135, Solute carrier organic anion transporter family member 1A1
Protein ID: PT06163, Solute carrier organic anion transporter family member 1A3
Protein ID: PT03566, Solute carrier organic anion transporter family member 1B1
Protein ID: PT06205, Solute carrier organic anion transporter family member 2A1
Clinical Information about the Compound