General Information of the Compound
| Compound ID |
CP0552483
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(2,4-dichlorophenyl)-8-[[5-[(3-methyl-4-oxophthalazin-1-yl)methyl]-4-(3-oxopropyl)-1,2,4-triazol-3-yl]sulfanyl]octanamide
Show/Hide
|
||||||||||||||||||
| Formula |
C29H32Cl2N6O3S
|
||||||||||||||||||
| Molecular Weight |
615.587
|
||||||||||||||||||
| Canonical SMILES |
Cn1nc(Cc2nnc(SCCCCCCCC(=O)Nc3ccc(Cl)cc3Cl)n2CCC=O)c2ccccc2c1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H32Cl2N6O3S/c1-36-28(40)22-11-7-6-10-21(22)25(35-36)19-26-33-34-29(37(26)15-9-16-38)41-17-8-4-2-3-5-12-27(39)32-24-14-13-20(30)18-23(24)31/h6-7,10-11,13-14,16,18H,2-5,8-9,12,15,17,19H2,1H3,(H,32,39)
Show/Hide
|
||||||||||||||||||
| InChIKey |
BKWOFDJZGMDOEV-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