General Information of the Compound
| Compound ID |
CP0251229
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[1-[2-[[2-(cyclopropylmethyl)-4-methylpyrazol-3-yl]methyl]-4-methylphenyl]-6-methylpyrrolo[2,3-b]pyridin-3-yl]acetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H28N4O2
|
||||||||||||||||||
| Molecular Weight |
428.536
|
||||||||||||||||||
| Canonical SMILES |
Cc1cnn(CC2CC2)c1Cc1cc(C)ccc1-n1cc(CC(O)=O)c2ccc(C)nc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H28N4O2/c1-16-4-9-23(20(10-16)11-24-17(2)13-27-30(24)14-19-6-7-19)29-15-21(12-25(31)32)22-8-5-18(3)28-26(22)29/h4-5,8-10,13,15,19H,6-7,11-12,14H2,1-3H3,(H,31,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
GDJQVMNEEDRUGT-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