General Information of the Compound
| Compound ID |
CP0861760
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(+/-)-3-(6-Fluoro-1H-indazol-3-ylmethylene)-1-[2-oxoethyl-2-(2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)]-5-phenyl-1H-1,5-diazepine-2,4-dione
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H28FN5O3
|
||||||||||||||||||
| Molecular Weight |
537.595
|
||||||||||||||||||
| Canonical SMILES |
O=C1C(Cc2n[nH]c3cc(F)ccc23)C(=O)N(c2ccccc2)C=CN1CC(=O)N1CCCCc2ccccc21
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H28FN5O3/c32-22-13-14-24-26(18-22)33-34-27(24)19-25-30(39)35(16-17-36(31(25)40)23-10-2-1-3-11-23)20-29(38)37-15-7-6-9-21-8-4-5-12-28(21)37/h1-5,8,10-14,16-18,25H,6-7,9,15,19-20H2,(H,33,34)
Show/Hide
|
||||||||||||||||||
| InChIKey |
DZVNNLCYWPVJPN-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