General Information of the Compound
| Compound ID |
CP0453838
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(6aR,9R)-N9,N9-diethyl-N7-phenyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-7,9(4H)-dicarboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H30N4O2
|
||||||||||||||||||
| Molecular Weight |
430.552
|
||||||||||||||||||
| Canonical SMILES |
CCN(CC)C(=O)[C@@H]1CC2[C@@H](Cc3c[nH]c4cccc2c34)N(C1)C(=O)Nc1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H30N4O2/c1-3-29(4-2)25(31)18-13-21-20-11-8-12-22-24(20)17(15-27-22)14-23(21)30(16-18)26(32)28-19-9-6-5-7-10-19/h5-12,15,18,21,23,27H,3-4,13-14,16H2,1-2H3,(H,28,32)/t18-,21?,23-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
RHIKQVGEWPJKKR-DDVMIGOSSA-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