General Information of the Compound
| Compound ID |
CP0920839
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-{3-[(lR,5S)-8-azabicyclo[3.2.1]oct-3-yl]sulfonyl]-4-chloro-2-hydroxyphenyl}-N'-(2-chloro-3-fluorophenyl)urea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H20Cl2FN3O4S
|
||||||||||||||||||
| Molecular Weight |
488.368
|
||||||||||||||||||
| Canonical SMILES |
O=C(Nc1ccc(Cl)c(S(=O)(=O)C2C[C@H]3CC[C@@H](C2)N3)c1O)Nc1cccc(F)c1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H20Cl2FN3O4S/c21-13-6-7-16(26-20(28)25-15-3-1-2-14(23)17(15)22)18(27)19(13)31(29,30)12-8-10-4-5-11(9-12)24-10/h1-3,6-7,10-12,24,27H,4-5,8-9H2,(H2,25,26,28)/t10-,11+,12?
Show/Hide
|
||||||||||||||||||
| InChIKey |
UFAGBBSFQQOPJD-FOSCPWQOSA-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