General Information of the Compound
| Compound ID |
CP0452113
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[4-[5-(3-anilino-2,2-dimethyl-3-oxopropoxy)-4-methyl-1,2,4-triazol-3-yl]phenyl]naphthalene-2-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H29N5O3
|
||||||||||||||||||
| Molecular Weight |
519.605
|
||||||||||||||||||
| Canonical SMILES |
Cn1c(OCC(C)(C)C(=O)Nc2ccccc2)nnc1-c1ccc(NC(=O)c2ccc3ccccc3c2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H29N5O3/c1-31(2,29(38)33-25-11-5-4-6-12-25)20-39-30-35-34-27(36(30)3)22-15-17-26(18-16-22)32-28(37)24-14-13-21-9-7-8-10-23(21)19-24/h4-19H,20H2,1-3H3,(H,32,37)(H,33,38)
Show/Hide
|
||||||||||||||||||
| InChIKey |
NXYPJKCORHWAEW-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
Protein ID: PT02536, Diacylglycerol O-acyltransferase 1
Protein ID: PT02560, Diacylglycerol O-acyltransferase 1