General Information of the Compound
| Compound ID |
CP0903459
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
Ethyl 4-({6-chloro-2-hydroxy-3-[({[2-(phenylox-y)phenyl]amino}carbonyl)amino]phenyl}sulfonyl)-1-piperidinecarboxylate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H28ClN3O7S
|
||||||||||||||||||
| Molecular Weight |
574.055
|
||||||||||||||||||
| Canonical SMILES |
CCOC(=O)N1CCC(S(=O)(=O)c2c(Cl)ccc(NC(=O)Nc3ccccc3Oc3ccccc3)c2O)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H28ClN3O7S/c1-2-37-27(34)31-16-14-19(15-17-31)39(35,36)25-20(28)12-13-22(24(25)32)30-26(33)29-21-10-6-7-11-23(21)38-18-8-4-3-5-9-18/h3-13,19,32H,2,14-17H2,1H3,(H2,29,30,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
NEJBAMDKVNDHJM-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: PT01304, C-X-C chemokine receptor type 1
Protein ID: PT01013, C-X-C chemokine receptor type 2