General Information of the Compound
| Compound ID |
CP0422098
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(2,3-dihydro-1H-inden-5-yl)-2-[2-[2-[[5-(dimethylamino)naphthalen-1-yl]sulfonyl-methylamino]ethyl]benzimidazol-1-yl]acetamide
Show/Hide
|
||||||||||||||||||
| Formula |
C33H35N5O3S
|
||||||||||||||||||
| Molecular Weight |
581.742
|
||||||||||||||||||
| Canonical SMILES |
CN(C)c1cccc2c(cccc12)S(=O)(=O)N(C)CCc1nc2ccccc2n1CC(=O)Nc1ccc2CCCc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C33H35N5O3S/c1-36(2)29-15-7-12-27-26(29)11-8-16-31(27)42(40,41)37(3)20-19-32-35-28-13-4-5-14-30(28)38(32)22-33(39)34-25-18-17-23-9-6-10-24(23)21-25/h4-5,7-8,11-18,21H,6,9-10,19-20,22H2,1-3H3,(H,34,39)
Show/Hide
|
||||||||||||||||||
| InChIKey |
BDEHPUXSMJEQQW-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