General Information of the Compound
| Compound ID |
CP0472259
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[((S)-4-{[3-(9H-Carbazol-4-yloxy)-2-hydroxy-propylamino]-methyl}-piperidine-1-carbonyl)-amino]-benzoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H32N4O5
|
||||||||||||||||||
| Molecular Weight |
516.598
|
||||||||||||||||||
| Canonical SMILES |
O[C@@H](CNCC1CCN(CC1)C(=O)Nc1cccc(c1)C(O)=O)COc1cccc2[nH]c3ccccc3c12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H32N4O5/c34-22(18-38-26-10-4-9-25-27(26)23-7-1-2-8-24(23)32-25)17-30-16-19-11-13-33(14-12-19)29(37)31-21-6-3-5-20(15-21)28(35)36/h1-10,15,19,22,30,32,34H,11-14,16-18H2,(H,31,37)(H,35,36)/t22-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
JODNVGYVQPMCKV-QFIPXVFZSA-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: PT01179, Beta-1 adrenergic receptor
Protein ID: PT01494, Beta-2 adrenergic receptor
Protein ID: PT01493, Beta-3 adrenergic receptor