General Information of the Compound
| Compound ID |
CP0422223
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL4740175
Show/Hide
|
||||||||||||||||||
| Formula |
C27H36ClNO3
|
||||||||||||||||||
| Molecular Weight |
458.042
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(C)[C@H]1CC[C@@H](CC1)Oc1cc(Cl)c2ccccc2c1CN1CCC(CC1)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H36ClNO3/c1-27(2,3)19-8-10-20(11-9-19)32-25-16-24(28)22-7-5-4-6-21(22)23(25)17-29-14-12-18(13-15-29)26(30)31/h4-7,16,18-20H,8-15,17H2,1-3H3,(H,30,31)/t19-,20-
Show/Hide
|
||||||||||||||||||
| InChIKey |
LFEYQMOAKDOIET-MXVIHJGJSA-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 | |||||||||||||||||||
| 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: PT01688, Sphingosine 1-phosphate receptor 1
Protein ID: PT01837, Sphingosine 1-phosphate receptor 2
Protein ID: PT01838, Sphingosine 1-phosphate receptor 3
Protein ID: PT01779, Sphingosine 1-phosphate receptor 4
Protein ID: PT01780, Sphingosine 1-phosphate receptor 5