General Information of the Compound
| Compound ID |
CP0389092
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S)-2-[[(2R)-2-[[(2S)-2-acetamido-3-(1H-imidazol-5-yl)propanoyl]amino]-3-[4-(trifluoromethyl)phenyl]propanoyl]amino]-N-[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]hexanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C35H41F3N8O5
|
||||||||||||||||||
| Molecular Weight |
710.758
|
||||||||||||||||||
| Canonical SMILES |
CCCC[C@H](NC(=O)[C@@H](Cc1ccc(cc1)C(F)(F)F)NC(=O)[C@H](Cc1cnc[nH]1)NC(C)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C35H41F3N8O5/c1-3-4-8-27(32(49)45-28(31(39)48)15-22-17-41-26-9-6-5-7-25(22)26)44-33(50)29(14-21-10-12-23(13-11-21)35(36,37)38)46-34(51)30(43-20(2)47)16-24-18-40-19-42-24/h5-7,9-13,17-19,27-30,41H,3-4,8,14-16H2,1-2H3,(H2,39,48)(H,40,42)(H,43,47)(H,44,50)(H,45,49)(H,46,51)/t27-,28-,29+,30-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
VJXLJBSRIOMQLS-ZXYZSCNASA-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: PT01804, Melanocortin receptor 5
Protein ID: PT00911, Melanocyte-stimulating hormone receptor