General Information of the Compound
| Compound ID |
CP0407416
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| Compound Name |
(7R,9R)-7-Butyl-7-ethyl-2,3-dimethoxy-9-phenyl-6,7,8,9-tetrahydro-5-thia-8-aza-benzocycloheptene 5,5-dioxide
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| Synonyms |
264W94
GW-264
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| Structure |
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| Formula |
C23H31NO4S
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| Molecular Weight |
417.571
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| Canonical SMILES |
CCCC[C@]1(CC)CS(=O)(=O)c2cc(OC)c(OC)cc2[C@H](N1)c1ccccc1
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| InChI |
InChI=1S/C23H31NO4S/c1-5-7-13-23(6-2)16-29(25,26)21-15-20(28-4)19(27-3)14-18(21)22(24-23)17-11-9-8-10-12-17/h8-12,14-15,22,24H,5-7,13,16H2,1-4H3/t22-,23-/m1/s1
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| InChIKey |
CKFWDLFFXXVSBJ-DHIUTWEWSA-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: PT06643, Ileal sodium/bile acid cotransporter
Protein ID: PT06555, Ileal sodium/bile acid cotransporter
Protein ID: PT03505, Ileal sodium/bile acid cotransporter
Clinical Information about the Compound