General Information of the Compound
| Compound ID |
CP0422101
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
tert-butyl 4-[2-[1-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]benzimidazol-2-yl]ethylcarbamoyl]piperidine-1-carboxylate
Show/Hide
|
||||||||||||||||||
| Formula |
C31H39N5O4
|
||||||||||||||||||
| Molecular Weight |
545.684
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(C)OC(=O)N1CCC(CC1)C(=O)NCCc1nc2ccccc2n1CC(=O)Nc1ccc2CCCc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H39N5O4/c1-31(2,3)40-30(39)35-17-14-22(15-18-35)29(38)32-16-13-27-34-25-9-4-5-10-26(25)36(27)20-28(37)33-24-12-11-21-7-6-8-23(21)19-24/h4-5,9-12,19,22H,6-8,13-18,20H2,1-3H3,(H,32,38)(H,33,37)
Show/Hide
|
||||||||||||||||||
| InChIKey |
IALWXGWWWXEHBS-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