General Information of the Compound
| Compound ID |
CP0537882
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(4-chlorophenyl)-N-[1-[[(cyanoamino)-(quinolin-5-ylamino)methylidene]amino]-2,2-dimethylpropyl]acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H25ClN6O
|
||||||||||||||||||
| Molecular Weight |
448.958
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(C)C(NC(=O)Cc1ccc(Cl)cc1)N=C(NC#N)Nc1cccc2ncccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H25ClN6O/c1-24(2,3)22(30-21(32)14-16-9-11-17(25)12-10-16)31-23(28-15-26)29-20-8-4-7-19-18(20)6-5-13-27-19/h4-13,22H,14H2,1-3H3,(H,30,32)(H2,28,29,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
DDFOXXYEMGDDKE-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
Protein ID: PT03917, P2X purinoceptor 7
Protein ID: PT01449, P2X purinoceptor 7