General Information of the Compound
| Compound ID |
CP0487640
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(2,3-dihydro-1H-inden-5-yl)-2-[2-[2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]ethyl]benzimidazol-1-yl]acetamide
Show/Hide
|
||||||||||||||||||
| Formula |
C32H33N5O3S
|
||||||||||||||||||
| Molecular Weight |
567.715
|
||||||||||||||||||
| Canonical SMILES |
CN(C)c1cccc2c(cccc12)S(=O)(=O)NCCc1nc2ccccc2n1CC(=O)Nc1ccc2CCCc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H33N5O3S/c1-36(2)28-14-6-11-26-25(28)10-7-15-30(26)41(39,40)33-19-18-31-35-27-12-3-4-13-29(27)37(31)21-32(38)34-24-17-16-22-8-5-9-23(22)20-24/h3-4,6-7,10-17,20,33H,5,8-9,18-19,21H2,1-2H3,(H,34,38)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZUEOJNMLMFIUIJ-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
Protein ID: PT03645, Nucleotide-binding oligomerization domain-containing protein 1
Protein ID: PT03970, Nucleotide-binding oligomerization domain-containing protein 2