General Information of the Compound
| Compound ID |
CP0430842
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| Compound Name |
acrylic acid derivative, 3
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| Structure |
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| Formula |
C28H32N2O5
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| Molecular Weight |
476.573
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| Canonical SMILES |
Cc1c(C)c2OC(C)(CCOc3cc(Cn4ccnc4)ccc3\C=C\C(O)=O)CCc2c(C)c1O
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| InChI |
InChI=1S/C28H32N2O5/c1-18-19(2)27-23(20(3)26(18)33)9-10-28(4,35-27)11-14-34-24-15-21(16-30-13-12-29-17-30)5-6-22(24)7-8-25(31)32/h5-8,12-13,15,17,33H,9-11,14,16H2,1-4H3,(H,31,32)/b8-7+
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| InChIKey |
RUCOQAKDGFQSIK-BQYQJAHWSA-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