General Information of the Compound
| Compound ID |
CP0415726
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[(4R)-4-(3,4-dimethoxyphenyl)-4-[1,3-dioxo-4-[4-[(1R)-1-phenylethyl]piperazin-1-yl]isoindol-2-yl]butyl]methanesulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C33H40N4O6S
|
||||||||||||||||||
| Molecular Weight |
620.772
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cc1OC)[C@@H](CCCNS(C)(=O)=O)N1C(=O)c2cccc(N3CCN(CC3)[C@H](C)c3ccccc3)c2C1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C33H40N4O6S/c1-23(24-10-6-5-7-11-24)35-18-20-36(21-19-35)28-13-8-12-26-31(28)33(39)37(32(26)38)27(14-9-17-34-44(4,40)41)25-15-16-29(42-2)30(22-25)43-3/h5-8,10-13,15-16,22-23,27,34H,9,14,17-21H2,1-4H3/t23-,27-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
CTJVAFHXNBYPPI-YIXXDRMTSA-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: PT03174, Urotensin-2 receptor
Protein ID: PT02463, Urotensin-2 receptor