General Information of the Compound
| Compound ID |
CP0393842
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
methyl 3-[(3R)-7-[3-(dimethylamino)phenoxy]-8-[[2-(naphthalen-2-ylmethoxy)acetyl]amino]-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]propanoate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C34H34N4O7
|
||||||||||||||||||
| Molecular Weight |
610.667
|
||||||||||||||||||
| Canonical SMILES |
COC(=O)CC[C@H]1NC(=O)c2cc(Oc3cccc(c3)N(C)C)c(NC(=O)COCc3ccc4ccccc4c3)cc2NC1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C34H34N4O7/c1-38(2)24-9-6-10-25(16-24)45-30-17-26-28(37-34(42)27(36-33(26)41)13-14-32(40)43-3)18-29(30)35-31(39)20-44-19-21-11-12-22-7-4-5-8-23(22)15-21/h4-12,15-18,27H,13-14,19-20H2,1-3H3,(H,35,39)(H,36,41)(H,37,42)/t27-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
WYURXJFRAJFANM-HHHXNRCGSA-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
Protein ID: PT03645, Nucleotide-binding oligomerization domain-containing protein 1
Protein ID: PT03970, Nucleotide-binding oligomerization domain-containing protein 2