General Information of the Compound
| Compound ID |
CP0947366
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(((trans)-4-((3-(3-methoxyphenyl)-3-phenylureido)methyl)cyclohexyl)methoxy)acetic acid
Show/Hide
|
||||||||||||||||||
| Formula |
C24H30N2O5
|
||||||||||||||||||
| Molecular Weight |
426.513
|
||||||||||||||||||
| Canonical SMILES |
COc1cccc(N(C(=O)NC[C@H]2CC[C@H](COCC(=O)O)CC2)c2ccccc2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H30N2O5/c1-30-22-9-5-8-21(14-22)26(20-6-3-2-4-7-20)24(29)25-15-18-10-12-19(13-11-18)16-31-17-23(27)28/h2-9,14,18-19H,10-13,15-17H2,1H3,(H,25,29)(H,27,28)/t18-,19-
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZPTXUMQKAFTPRD-WGSAOQKQSA-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