General Information of the Compound
Compound ID |
CP0452768
|
||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Compound Name |
3-(((1S,3S)-3-(7-methoxy-4-methylquinolin-2-ylamino)cyclopentylamino)methyl)-1-methyl-1H-indole-7-carbonitrile
Show/Hide
|
||||||||||||||||||
Structure |
|
||||||||||||||||||
Formula |
C27H29N5O
|
||||||||||||||||||
Molecular Weight |
439.563
|
||||||||||||||||||
Canonical SMILES |
COc1ccc2c(C)cc(N[C@H]3CC[C@@H](C3)NCc3cn(C)c4c(cccc34)C#N)nc2c1
Show/Hide
|
||||||||||||||||||
InChI |
InChI=1S/C27H29N5O/c1-17-11-26(31-25-13-22(33-3)9-10-23(17)25)30-21-8-7-20(12-21)29-15-19-16-32(2)27-18(14-28)5-4-6-24(19)27/h4-6,9-11,13,16,20-21,29H,7-8,12,15H2,1-3H3,(H,30,31)/t20-,21-/m0/s1
Show/Hide
|
||||||||||||||||||
InChIKey |
KAGSPAMVFIKNMJ-SFTDATJTSA-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