General Information of the Compound
| Compound ID |
CP0397467
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| Compound Name |
(E)-3-[2-[(E)-3-[4-[2-(1-cyanoisoindol-2-yl)ethoxy]-3-methoxyphenyl]prop-1-enyl]phenyl]prop-2-enoic acid
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| Structure |
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| Formula |
C30H26N2O4
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| Molecular Weight |
478.548
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| Canonical SMILES |
COc1cc(C\C=C\c2ccccc2\C=C\C(O)=O)ccc1OCCn1cc2ccccc2c1C#N
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| InChI |
InChI=1S/C30H26N2O4/c1-35-29-19-22(7-6-11-23-8-2-3-9-24(23)14-16-30(33)34)13-15-28(29)36-18-17-32-21-25-10-4-5-12-26(25)27(32)20-31/h2-6,8-16,19,21H,7,17-18H2,1H3,(H,33,34)/b11-6+,16-14+
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| InChIKey |
MDRAJBLIYXCTEC-BTSHEXGNSA-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: PT01205, Prostaglandin E2 receptor EP1 subtype
Protein ID: PT00948, Prostaglandin E2 receptor EP2 subtype
Protein ID: PT01367, Prostaglandin E2 receptor EP3 subtype
Protein ID: PT01534, Prostaglandin E2 receptor EP4 subtype