General Information of the Compound
| Compound ID |
CP0398316
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
tert-butyl N-[N'-[4-[(4-anilino-1-benzylpiperidin-4-yl)methylamino]-4-oxobutyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C34H50N6O5
|
||||||||||||||||||
| Molecular Weight |
622.811
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(C)OC(=O)N\C(NCCCC(=O)NCC1(CCN(Cc2ccccc2)CC1)Nc1ccccc1)=N/C(=O)OC(C)(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C34H50N6O5/c1-32(2,3)44-30(42)37-29(38-31(43)45-33(4,5)6)35-21-13-18-28(41)36-25-34(39-27-16-11-8-12-17-27)19-22-40(23-20-34)24-26-14-9-7-10-15-26/h7-12,14-17,39H,13,18-25H2,1-6H3,(H,36,41)(H2,35,37,38,42,43)
Show/Hide
|
||||||||||||||||||
| InChIKey |
GMNZKAGDHITNRZ-UHFFFAOYSA-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: PT04406, Neuropeptide FF receptor 1
Protein ID: PT02666, Neuropeptide FF receptor 2