General Information of the Compound
| Compound ID |
CP0208829
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(2-aminophenyl)-4-(3-cyano-5-{[4-(propan-2-yl)piperazin-1-yl]methyl}pyridin-2-yl)benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H30N6O
|
||||||||||||||||||
| Molecular Weight |
454.578
|
||||||||||||||||||
| Canonical SMILES |
CC(C)N1CCN(Cc2cnc(-c3ccc(cc3)C(=O)Nc3ccccc3N)c(c2)C#N)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H30N6O/c1-19(2)33-13-11-32(12-14-33)18-20-15-23(16-28)26(30-17-20)21-7-9-22(10-8-21)27(34)31-25-6-4-3-5-24(25)29/h3-10,15,17,19H,11-14,18,29H2,1-2H3,(H,31,34)
Show/Hide
|
||||||||||||||||||
| InChIKey |
RLVHHMUTZQQOFZ-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