General Information of the Compound
| Compound ID |
CP0430840
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| Compound Name |
acrylic acid derivative, 10
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| Structure |
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| Formula |
C23H24N2O4
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| Molecular Weight |
392.455
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| Canonical SMILES |
OC(=O)\C=C\c1ccc(Cn2ccnc2)cc1OCCCCOc1ccccc1
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| InChI |
InChI=1S/C23H24N2O4/c26-23(27)11-10-20-9-8-19(17-25-13-12-24-18-25)16-22(20)29-15-5-4-14-28-21-6-2-1-3-7-21/h1-3,6-13,16,18H,4-5,14-15,17H2,(H,26,27)/b11-10+
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| InChIKey |
RVLUXUBUNBILRZ-ZHACJKMWSA-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: PT02989, Prostaglandin E2 receptor EP2 subtype
Protein ID: PT02345, Prostaglandin E2 receptor EP3 subtype
Protein ID: PT02346, Prostaglandin E2 receptor EP4 subtype