General Information of the Compound
| Compound ID |
CP0406654
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US10100018, Example 84
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H23N3O5
|
||||||||||||||||||
| Molecular Weight |
433.464
|
||||||||||||||||||
| Canonical SMILES |
COc1ccccc1Oc1cnc(nc1)C(=O)N(CC1CC1)Cc1ccc(cc1)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H23N3O5/c1-31-20-4-2-3-5-21(20)32-19-12-25-22(26-13-19)23(28)27(14-16-6-7-16)15-17-8-10-18(11-9-17)24(29)30/h2-5,8-13,16H,6-7,14-15H2,1H3,(H,29,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
SGNXTFIPFVFVIJ-UHFFFAOYSA-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: PT03925, Lysophosphatidic acid receptor 1
Protein ID: PT05651, Lysophosphatidic acid receptor 5