General Information of the Compound
| Compound ID |
CP0388502
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(2-hydroxy-3-(1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-ylamino)propoxy)benzoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H28N4O4S
|
||||||||||||||||||
| Molecular Weight |
504.612
|
||||||||||||||||||
| Canonical SMILES |
OC(CNC1CCN(CC1)c1ncnc2scc(-c3ccccc3)c12)COc1cccc(c1)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H28N4O4S/c32-21(15-35-22-8-4-7-19(13-22)27(33)34)14-28-20-9-11-31(12-10-20)25-24-23(18-5-2-1-3-6-18)16-36-26(24)30-17-29-25/h1-8,13,16-17,20-21,28,32H,9-12,14-15H2,(H,33,34)
Show/Hide
|
||||||||||||||||||
| InChIKey |
QBWZADRKADTWEZ-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: PT01494, Beta-2 adrenergic receptor
Protein ID: PT01493, Beta-3 adrenergic receptor