General Information of the Compound
| Compound ID |
CP0473923
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-[[5-[3-(1H-indazol-6-yl)benzotriazol-5-yl]pyrazol-1-yl]methyl]pyridine-3-carbonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H15N9
|
||||||||||||||||||
| Molecular Weight |
417.436
|
||||||||||||||||||
| Canonical SMILES |
N#Cc1ccc(Cn2nccc2-c2ccc3nnn(-c4ccc5cn[nH]c5c4)c3c2)nc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H15N9/c24-11-15-1-4-18(25-12-15)14-31-22(7-8-27-31)16-3-6-20-23(9-16)32(30-29-20)19-5-2-17-13-26-28-21(17)10-19/h1-10,12-13H,14H2,(H,26,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
CMEXOVQOSRSISA-UHFFFAOYSA-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