General Information of the Compound
| Compound ID |
CP0405446
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[(4R)-4-(3,4-dimethoxyphenyl)-4-[1,3-dioxo-4-[4-[(1R)-1-phenylethyl]piperazin-1-yl]isoindol-2-yl]butyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C38H44N6O5
|
||||||||||||||||||
| Molecular Weight |
664.807
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cc1OC)[C@@H](CCCNC(=O)c1c(C)n[nH]c1C)N1C(=O)c2cccc(N3CCN(CC3)[C@H](C)c3ccccc3)c2C1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C38H44N6O5/c1-24-34(25(2)41-40-24)36(45)39-18-10-15-30(28-16-17-32(48-4)33(23-28)49-5)44-37(46)29-13-9-14-31(35(29)38(44)47)43-21-19-42(20-22-43)26(3)27-11-7-6-8-12-27/h6-9,11-14,16-17,23,26,30H,10,15,18-22H2,1-5H3,(H,39,45)(H,40,41)/t26-,30-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
CZWJHNWGEGYHNZ-PDDLMNHVSA-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