General Information of the Compound
| Compound ID |
CP0152283
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-{3-[2-(6-Fluoro-1H-indol-3-yl)-ethylsulfanyl]-5-quinolin-2-yl-[1,2,4]triazol-4-yl}-butylamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H25FN6S
|
||||||||||||||||||
| Molecular Weight |
460.582
|
||||||||||||||||||
| Canonical SMILES |
NCCCCn1c(SCCc2c[nH]c3cc(F)ccc23)nnc1-c1ccc2ccccc2n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H25FN6S/c26-19-8-9-20-18(16-28-23(20)15-19)11-14-33-25-31-30-24(32(25)13-4-3-12-27)22-10-7-17-5-1-2-6-21(17)29-22/h1-2,5-10,15-16,28H,3-4,11-14,27H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
NTRJRVNTUUCVPQ-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