General Information of the Compound
| Compound ID |
CP0372759
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2R)-2-amino-N-[(2S)-5-(diaminomethylideneamino)-1-piperidin-1-ylpentan-2-yl]-3-(4-fluorophenyl)propanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H33FN6O
|
||||||||||||||||||
| Molecular Weight |
392.523
|
||||||||||||||||||
| Canonical SMILES |
N[C@H](Cc1ccc(F)cc1)C(=O)N[C@@H](CCCN=C(N)N)CN1CCCCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H33FN6O/c21-16-8-6-15(7-9-16)13-18(22)19(28)26-17(5-4-10-25-20(23)24)14-27-11-2-1-3-12-27/h6-9,17-18H,1-5,10-14,22H2,(H,26,28)(H4,23,24,25)/t17-,18+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
QNBNBZCNHHZCFZ-ZWKOTPCHSA-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: PT01325, Melanocortin receptor 3
Protein ID: PT00914, Melanocortin receptor 4
Protein ID: PT00911, Melanocyte-stimulating hormone receptor