General Information of the Compound
| Compound ID |
CP0471991
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(6aR,9S)-9-((diethylamino)methyl)-N-phenyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-7(4H)-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H30N4O
|
||||||||||||||||||
| Molecular Weight |
414.553
|
||||||||||||||||||
| Canonical SMILES |
CCN(CC)C[C@H]1CN([C@@H]2Cc3c[nH]c4cccc(C2=C1)c34)C(=O)Nc1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H30N4O/c1-3-29(4-2)16-18-13-22-21-11-8-12-23-25(21)19(15-27-23)14-24(22)30(17-18)26(31)28-20-9-6-5-7-10-20/h5-13,15,18,24,27H,3-4,14,16-17H2,1-2H3,(H,28,31)/t18-,24+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
DKHHCZJGQFFHNM-MHECFPHRSA-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