General Information of the Compound
| Compound ID |
CP0847239
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| Compound Name |
5-{(R)-1-[4-(1-Hydroxy-propyl)-phenyl]-5-oxo-pyrrolidin-2-ylmethoxymethyl}-thiophene-2-carboxylic acid
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| Structure |
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| Formula |
C20H23NO5S
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| Molecular Weight |
389.473
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| Canonical SMILES |
CCC(O)c1ccc(N2C(=O)CC[C@@H]2COCc2ccc(C(=O)O)s2)cc1
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| InChI |
InChI=1S/C20H23NO5S/c1-2-17(22)13-3-5-14(6-4-13)21-15(7-10-19(21)23)11-26-12-16-8-9-18(27-16)20(24)25/h3-6,8-9,15,17,22H,2,7,10-12H2,1H3,(H,24,25)/t15-,17?/m1/s1
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| InChIKey |
CQNLDPUJXLNMDP-LDCVWXEPSA-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: PT01054, Prostaglandin D2 receptor
Protein ID: PT00948, Prostaglandin E2 receptor EP2 subtype
Protein ID: PT01534, Prostaglandin E2 receptor EP4 subtype