General Information of the Compound
| Compound ID |
CP0515187
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S)-2-amino-N-[[4-anilino-1-(naphthalen-2-ylmethyl)piperidin-4-yl]methyl]-5-(diaminomethylideneamino)pentanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H39N7O
|
||||||||||||||||||
| Molecular Weight |
501.679
|
||||||||||||||||||
| Canonical SMILES |
N[C@@H](CCCNC(N)=N)C(=O)NCC1(CCN(Cc2ccc3ccccc3c2)CC1)Nc1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H39N7O/c30-26(11-6-16-33-28(31)32)27(37)34-21-29(35-25-9-2-1-3-10-25)14-17-36(18-15-29)20-22-12-13-23-7-4-5-8-24(23)19-22/h1-5,7-10,12-13,19,26,35H,6,11,14-18,20-21,30H2,(H,34,37)(H4,31,32,33)/t26-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
KUSIVFVMUFMYRY-SANMLTNESA-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