General Information of the Compound
| Compound ID |
CP0542248
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-acetamido-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H45N13O5
|
||||||||||||||||||
| Molecular Weight |
655.765
|
||||||||||||||||||
| Canonical SMILES |
CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H45N13O5/c1-17(43)39-23(14-19-15-35-16-38-19)27(47)42-22(13-18-7-3-2-4-8-18)26(46)41-21(10-6-12-37-29(33)34)25(45)40-20(24(30)44)9-5-11-36-28(31)32/h2-4,7-8,15-16,20-23H,5-6,9-14H2,1H3,(H2,30,44)(H,35,38)(H,39,43)(H,40,45)(H,41,46)(H,42,47)(H4,31,32,36)(H4,33,34,37)/t20-,21-,22+,23-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
PIHNEMPAALDULR-GPJHCHHRSA-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: PT02450, Melanocortin receptor 3
Protein ID: PT01431, Melanocortin receptor 4
Protein ID: PT01440, Melanocyte-stimulating hormone receptor