General Information of the Compound
| Compound ID |
CP0458345
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(6aR,9R)-9-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-N-phenyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-7-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H26N4O3
|
||||||||||||||||||
| Molecular Weight |
442.519
|
||||||||||||||||||
| Canonical SMILES |
O[C@@H]1CCN(C1)C(=O)[C@H]1CN([C@@H]2Cc3c[nH]c4cccc(C2=C1)c34)C(=O)Nc1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H26N4O3/c31-19-9-10-29(15-19)25(32)17-11-21-20-7-4-8-22-24(20)16(13-27-22)12-23(21)30(14-17)26(33)28-18-5-2-1-3-6-18/h1-8,11,13,17,19,23,27,31H,9-10,12,14-15H2,(H,28,33)/t17-,19-,23-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
YGQOORWVQMHJON-LYHRCORUSA-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