General Information of the Compound
| Compound ID |
CP0473930
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
tert-butyl N-[3-(3,4-dimethoxyphenyl)-3-[1,3-dioxo-4-[4-[(1S)-1-phenylethyl]piperazin-1-yl]isoindol-2-yl]propyl]carbamate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C36H44N4O6
|
||||||||||||||||||
| Molecular Weight |
628.77
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cc1OC)C(CCNC(=O)OC(C)(C)C)N1C(=O)c2cccc(N3CCN(CC3)[C@@H](C)c3ccccc3)c2C1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C36H44N4O6/c1-24(25-11-8-7-9-12-25)38-19-21-39(22-20-38)29-14-10-13-27-32(29)34(42)40(33(27)41)28(17-18-37-35(43)46-36(2,3)4)26-15-16-30(44-5)31(23-26)45-6/h7-16,23-24,28H,17-22H2,1-6H3,(H,37,43)/t24-,28?/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
VXIRZADKDLXOPU-ZZDYIDRTSA-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