General Information of the Compound
| Compound ID |
CP0534807
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(3-Hydroxy-adamantan-1-yl)-3-{1-[1-(4-trifluoromethyl-phenyl)-1H-pyrrol-3-ylmethyl]-piperidin-4-yl}-urea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H35F3N4O2
|
||||||||||||||||||
| Molecular Weight |
516.608
|
||||||||||||||||||
| Canonical SMILES |
OC12CC3CC(C1)CC(C3)(C2)NC(=O)NC1CCN(Cc2ccn(c2)-c2ccc(cc2)C(F)(F)F)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H35F3N4O2/c29-28(30,31)22-1-3-24(4-2-22)35-10-5-19(17-35)16-34-8-6-23(7-9-34)32-25(36)33-26-12-20-11-21(13-26)15-27(37,14-20)18-26/h1-5,10,17,20-21,23,37H,6-9,11-16,18H2,(H2,32,33,36)
Show/Hide
|
||||||||||||||||||
| InChIKey |
JRAIDSQDLQLLFW-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: PT01027, Melanin-concentrating hormone receptor 1
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2