General Information of the Compound
| Compound ID |
CP0483955
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US10011588, Example 118
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H19BrN6O
|
||||||||||||||||||
| Molecular Weight |
427.306
|
||||||||||||||||||
| Canonical SMILES |
Brc1ccc(N[C@H]2CCC[C@@H]2NC(=O)c2ccccc2-n2nccn2)nc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H19BrN6O/c20-13-8-9-18(21-12-13)24-15-5-3-6-16(15)25-19(27)14-4-1-2-7-17(14)26-22-10-11-23-26/h1-2,4,7-12,15-16H,3,5-6H2,(H,21,24)(H,25,27)/t15-,16-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZXUXEWOUFJCMGR-HOTGVXAUSA-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: PT01132, Orexin receptor type 2
Protein ID: PT02001, Orexin/Hypocretin receptor type 1