General Information of the Compound
| Compound ID |
CP0885306
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(+/-)-2-(6-((1H-indazol-3-yl)methyl)-6-((1H-pyrazol-3-yl)methyl)-5,7-dioxo-4-phenyl-4,5,6,7-tetrahydro-1H-1,4-diazepin-1-yl)-N-isopropyl-N-(4-methoxyphenyl)acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C35H35N7O4
|
||||||||||||||||||
| Molecular Weight |
617.71
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(N(C(=O)CN2C=CN(c3ccccc3)C(=O)C(Cc3cc[nH]n3)(Cc3n[nH]c4ccccc34)C2=O)C(C)C)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C35H35N7O4/c1-24(2)42(27-13-15-28(46-3)16-14-27)32(43)23-40-19-20-41(26-9-5-4-6-10-26)34(45)35(33(40)44,21-25-17-18-36-37-25)22-31-29-11-7-8-12-30(29)38-39-31/h4-20,24H,21-23H2,1-3H3,(H,36,37)(H,38,39)
Show/Hide
|
||||||||||||||||||
| InChIKey |
JGMDZJQNTNTJQG-UHFFFAOYSA-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