General Information of the Compound
| Compound ID |
CP0651202
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-butyl-3-cyclohexylmethyl-9-(4-methoxyphenylmethyl)-1,4,9-triazaspiro[5.5]undeca-2,5-dione hydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H42ClN3O3
|
||||||||||||||||||
| Molecular Weight |
492.104
|
||||||||||||||||||
| Canonical SMILES |
CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C12CCN(Cc1ccc(OC)cc1)CC2.Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H41N3O3.ClH/c1-3-4-16-30-25(31)24(19-21-8-6-5-7-9-21)28-26(32)27(30)14-17-29(18-15-27)20-22-10-12-23(33-2)13-11-22;/h10-13,21,24H,3-9,14-20H2,1-2H3,(H,28,32);1H
Show/Hide
|
||||||||||||||||||
| InChIKey |
SYIKSULLXOWBFG-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: PT01021, C-C chemokine receptor type 2
Protein ID: PT00903, C-C chemokine receptor type 5
Protein ID: PT02059, C-X-C chemokine receptor type 4