General Information of the Compound
| Compound ID |
CP0156191
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-2-ethynylpyridin-3-yl}isoquinoline
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H22N4O
|
||||||||||||||||||
| Molecular Weight |
418.5
|
||||||||||||||||||
| Canonical SMILES |
N[C@H](COc1cnc(C#C)c(c1)-c1ccc2cnccc2c1)Cc1c[nH]c2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H22N4O/c1-2-26-25(19-7-8-20-14-29-10-9-18(20)11-19)13-23(16-31-26)32-17-22(28)12-21-15-30-27-6-4-3-5-24(21)27/h1,3-11,13-16,22,30H,12,17,28H2/t22-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
KYCYRGUYNYCBAH-QFIPXVFZSA-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