General Information of the Compound
| Compound ID |
CP0445233
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(8-Methyl-11H-benzo[e]pyrido[3,2-b][1,4]diazepin-6-yl)-[2-(1-methyl-pyrrolidin-2-yl)-ethyl]-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H25N5
|
||||||||||||||||||
| Molecular Weight |
335.455
|
||||||||||||||||||
| Canonical SMILES |
CN1CCCC1CCNC1=Nc2cccnc2Nc2ccc(C)cc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H25N5/c1-14-7-8-17-16(13-14)19(22-11-9-15-5-4-12-25(15)2)24-18-6-3-10-21-20(18)23-17/h3,6-8,10,13,15H,4-5,9,11-12H2,1-2H3,(H,21,23)(H,22,24)
Show/Hide
|
||||||||||||||||||
| InChIKey |
RUWYMWYTNJZGOU-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