General Information of the Compound
| Compound ID |
CP0963376
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(5R,11aS)-5-Isobutyl-2-(4-methoxybenzyl)-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indole-1,3(2H)-dione
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H27N3O3
|
||||||||||||||||||
| Molecular Weight |
417.509
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(CN2C(=O)[C@@H]3Cc4c([nH]c5ccccc45)[C@@H](CC(C)C)N3C2=O)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H27N3O3/c1-15(2)12-21-23-19(18-6-4-5-7-20(18)26-23)13-22-24(29)27(25(30)28(21)22)14-16-8-10-17(31-3)11-9-16/h4-11,15,21-22,26H,12-14H2,1-3H3/t21-,22+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
IAZBBHYVQSVMAS-YADHBBJMSA-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