General Information of the Compound
| Compound ID |
CP0429758
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(4'S)-2-((2a-ethyl-4-oxo-2a,3,4,5-tetrahydropyrrolo[4,3,2-de]quinolin-1(2H)-yl)methyl)-3'-methyl-6,8-dihydrospiro[cyclopenta[g]quinoline-7,4'-imidazolidine]-2',5'-dione
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H27N5O3
|
||||||||||||||||||
| Molecular Weight |
481.556
|
||||||||||||||||||
| Canonical SMILES |
CCC12CN(Cc3ccc4cc5C[C@@]6(Cc5cc4n3)N(C)C(=O)NC6=O)c3cccc(NC(=O)C1)c23
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H27N5O3/c1-3-27-13-23(34)30-20-5-4-6-22(24(20)27)33(15-27)14-19-8-7-16-9-17-11-28(12-18(17)10-21(16)29-19)25(35)31-26(36)32(28)2/h4-10H,3,11-15H2,1-2H3,(H,30,34)(H,31,35,36)/t27?,28-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
YTNSSBQNYOFYGN-CPRJBALCSA-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