General Information of the Compound
| Compound ID |
CP0423877
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| Compound Name |
2-[2-[(2R)-2-[(E,3S)-4-[3-(1-benzofuran-2-yl)phenyl]-3-hydroxybut-1-enyl]-5-oxopyrrolidin-1-yl]ethylsulfanyl]-1,3-thiazole-4-carboxylic acid
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| Structure |
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| Formula |
C28H26N2O5S2
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| Molecular Weight |
534.659
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| Canonical SMILES |
O[C@@H](Cc1cccc(c1)-c1cc2ccccc2o1)\C=C\[C@H]1CCC(=O)N1CCSc1nc(cs1)C(O)=O
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| InChI |
InChI=1S/C28H26N2O5S2/c31-22(15-18-4-3-6-19(14-18)25-16-20-5-1-2-7-24(20)35-25)10-8-21-9-11-26(32)30(21)12-13-36-28-29-23(17-37-28)27(33)34/h1-8,10,14,16-17,21-22,31H,9,11-13,15H2,(H,33,34)/b10-8+/t21-,22+/m0/s1
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| InChIKey |
PWCLBJYOGZNYIQ-PCBIHFGQSA-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: PT02988, Prostaglandin E2 receptor EP1 subtype
Protein ID: PT05828, Prostaglandin E2 receptor EP2 subtype
Protein ID: PT02989, Prostaglandin E2 receptor EP2 subtype
Protein ID: PT02345, Prostaglandin E2 receptor EP3 subtype
Protein ID: PT04548, Prostaglandin E2 receptor EP4 subtype
Protein ID: PT02346, Prostaglandin E2 receptor EP4 subtype