General Information of the Compound
| Compound ID |
CP0381833
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
benzyl N-[3-[(3,4-dichlorophenyl)methylcarbamoyl]-4-pyridin-3-yloxyphenyl]carbamate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H21Cl2N3O4
|
||||||||||||||||||
| Molecular Weight |
522.388
|
||||||||||||||||||
| Canonical SMILES |
Clc1ccc(CNC(=O)c2cc(NC(=O)OCc3ccccc3)ccc2Oc2cccnc2)cc1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H21Cl2N3O4/c28-23-10-8-19(13-24(23)29)15-31-26(33)22-14-20(9-11-25(22)36-21-7-4-12-30-16-21)32-27(34)35-17-18-5-2-1-3-6-18/h1-14,16H,15,17H2,(H,31,33)(H,32,34)
Show/Hide
|
||||||||||||||||||
| InChIKey |
YYLZEIUVJBDDJF-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