General Information of the Compound
| Compound ID |
CP0481221
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9447148, 9.57
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C37H59ClN12O8
|
||||||||||||||||||
| Molecular Weight |
835.408
|
||||||||||||||||||
| Canonical SMILES |
CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2Cl)NC(=O)[C@H](CCCN)NC1=O)C(N)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C37H59ClN12O8/c1-3-4-11-25(45-21(2)51)32(54)49-28-14-15-30(52)43-19-16-24(31(40)53)46-33(55)27(13-8-18-44-37(41)42)48-36(58)29(20-22-9-5-6-10-23(22)38)50-34(56)26(12-7-17-39)47-35(28)57/h5-6,9-10,24-29H,3-4,7-8,11-20,39H2,1-2H3,(H2,40,53)(H,43,52)(H,45,51)(H,46,55)(H,47,57)(H,48,58)(H,49,54)(H,50,56)(H4,41,42,44)/t24-,25-,26-,27-,28-,29+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
IAECCPUZCYCWLG-VEIVPZTASA-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: PT00914, Melanocortin receptor 4
Protein ID: PT00911, Melanocyte-stimulating hormone receptor