General Information of the Compound
| Compound ID |
CP0486550
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[1-(4-tert-butylbenzoyl)piperidin-4-yl]-5,6-dichloro-N,N-dimethyl-2-(propan-2-ylamino)benzimidazole-4-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H37Cl2N5O2
|
||||||||||||||||||
| Molecular Weight |
558.554
|
||||||||||||||||||
| Canonical SMILES |
CC(C)Nc1nc2c(C(=O)N(C)C)c(Cl)c(Cl)cc2n1C1CCN(CC1)C(=O)c1ccc(cc1)C(C)(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H37Cl2N5O2/c1-17(2)32-28-33-25-22(16-21(30)24(31)23(25)27(38)34(6)7)36(28)20-12-14-35(15-13-20)26(37)18-8-10-19(11-9-18)29(3,4)5/h8-11,16-17,20H,12-15H2,1-7H3,(H,32,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
XNUBWHNBLUYYGB-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