General Information of the Compound
| Compound ID |
CP0866430
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| Compound Name |
methyl 7-((1R,2S,3R)-2-(4-tert-butylphenyl)-3-hydroxy-5-oxocyclopentyl)hept-5-enoate
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| Structure |
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| Formula |
C23H32O4
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| Molecular Weight |
372.505
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| Canonical SMILES |
COC(=O)CCC/C=C\C[C@H]1C(=O)C[C@@H](O)[C@@H]1c1ccc(C(C)(C)C)cc1
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| InChI |
InChI=1S/C23H32O4/c1-23(2,3)17-13-11-16(12-14-17)22-18(19(24)15-20(22)25)9-7-5-6-8-10-21(26)27-4/h5,7,11-14,18,20,22,25H,6,8-10,15H2,1-4H3/b7-5-/t18-,20+,22+/m0/s1
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| InChIKey |
QODUKAICOKXMSX-ZLVOKCHPSA-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: PT00948, Prostaglandin E2 receptor EP2 subtype
Protein ID: PT01819, Thromboxane A2 receptor