General Information of the Compound
| Compound ID |
CP0387995
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-[(1S,2S,4R)-4-[[1-(4-methoxyphenyl)cyclobutyl]amino]-2-thiophen-3-ylcyclohexyl]methanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C33H39N5O2S
|
||||||||||||||||||
| Molecular Weight |
569.775
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cc1)C1(CCC1)N[C@@H]1CC[C@@H]([C@H](C1)c1ccsc1)C(=O)N1CCN(CC1)c1nc2ccccc2[nH]1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C33H39N5O2S/c1-40-26-10-7-24(8-11-26)33(14-4-15-33)36-25-9-12-27(28(21-25)23-13-20-41-22-23)31(39)37-16-18-38(19-17-37)32-34-29-5-2-3-6-30(29)35-32/h2-3,5-8,10-11,13,20,22,25,27-28,36H,4,9,12,14-19,21H2,1H3,(H,34,35)/t25-,27+,28-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZOPRMPCWLQFXSO-FPNNDXFKSA-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: PT06379, Neuropeptides B/W receptor type 1
Protein ID: PT06160, Neuropeptides B/W receptor type 1