General Information of the Compound
| Compound ID |
CP0853355
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(3-(4-chlorophenethyl)-1,2,4-oxadiazol-5-yl)-4-(4-methylpiperazin-1-yl)-1H-pyrrolo[3,2-c]pyridine
Show/Hide
|
||||||||||||||||||
| Formula |
C22H23ClN6O
|
||||||||||||||||||
| Molecular Weight |
422.92
|
||||||||||||||||||
| Canonical SMILES |
CN1CCN(c2[nH]ccc3nc(-c4nc(CCc5ccc(Cl)cc5)no4)cc2-3)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H23ClN6O/c1-28-10-12-29(13-11-28)21-17-14-19(25-18(17)8-9-24-21)22-26-20(27-30-22)7-4-15-2-5-16(23)6-3-15/h2-3,5-6,8-9,14,24H,4,7,10-13H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
DPJIXLAHFRJRIA-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 | |||||||||||||||||||
| 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