General Information of the Compound
| Compound ID |
CP0415735
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(R)-N-(4-(3,4-dimethoxyphenyl)-4-(4-(4-ethylpiperazin-1-yl)-1-oxoisoindolin-2-yl)butyl)-N-methylthiophene-2-sulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H40N4O5S2
|
||||||||||||||||||
| Molecular Weight |
612.818
|
||||||||||||||||||
| Canonical SMILES |
CCN1CCN(CC1)c1cccc2C(=O)N(Cc12)[C@H](CCCN(C)S(=O)(=O)c1cccs1)c1ccc(OC)c(OC)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H40N4O5S2/c1-5-33-16-18-34(19-17-33)27-10-6-9-24-25(27)22-35(31(24)36)26(23-13-14-28(39-3)29(21-23)40-4)11-7-15-32(2)42(37,38)30-12-8-20-41-30/h6,8-10,12-14,20-21,26H,5,7,11,15-19,22H2,1-4H3/t26-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
PKYMOQVCDUAWSB-AREMUKBSSA-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