General Information of the Compound
| Compound ID |
CP0505699
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(3-Cyano-4-pyrazol-1-yl-cyclohexa-2,4-dienyl)-3-{(1R,2S)-2-[(S)-3-(4-fluoro-benzyl)-piperidin-1-ylmethyl]-cyclohexyl}-urea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H37FN6O
|
||||||||||||||||||
| Molecular Weight |
516.665
|
||||||||||||||||||
| Canonical SMILES |
Fc1ccc(C[C@@H]2CCCN(C[C@@H]3CCCC[C@H]3NC(=O)NC3CC=C(C(=C3)C#N)n3cccn3)C2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H37FN6O/c31-26-10-8-22(9-11-26)17-23-5-3-15-36(20-23)21-24-6-1-2-7-28(24)35-30(38)34-27-12-13-29(25(18-27)19-32)37-16-4-14-33-37/h4,8-11,13-14,16,18,23-24,27-28H,1-3,5-7,12,15,17,20-21H2,(H2,34,35,38)/t23-,24-,27?,28+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
QPBTXFXXYZMNDD-KYTFRPSZSA-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