General Information of the Compound
| Compound ID |
CP0852829
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
methyl 7-((1R,2S,3R,5R)-2-(4-tert-butylphenyl)-5-chloro-3-hydroxycyclopentyl)hept-5-enoate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H33ClO3
|
||||||||||||||||||
| Molecular Weight |
392.967
|
||||||||||||||||||
| Canonical SMILES |
COC(=O)CCC/C=C\C[C@@H]1[C@@H](c2ccc(C(C)(C)C)cc2)[C@H](O)C[C@H]1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H33ClO3/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-,19+,20+,22+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
JVJSZVIWJDEHTQ-CQJJLBMOSA-N
|
||||||||||||||||||
| 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
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
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 |
|
|---|
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00948, Prostaglandin E2 receptor EP2 subtype
Protein ID: PT01367, Prostaglandin E2 receptor EP3 subtype