General Information of the Compound
| Compound ID |
CP0425143
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(1-(((1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)methyl)piperidin-4-yl)-3-(5-(3-methoxyphenyl)thiophen-2-yl)urea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H35N3O2S
|
||||||||||||||||||
| Molecular Weight |
465.663
|
||||||||||||||||||
| Canonical SMILES |
COc1cccc(c1)-c1ccc(NC(=O)NC2CCN(CC3=CC[C@H]4C[C@@H]3C4(C)C)CC2)s1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H35N3O2S/c1-27(2)20-8-7-19(23(27)16-20)17-30-13-11-21(12-14-30)28-26(31)29-25-10-9-24(33-25)18-5-4-6-22(15-18)32-3/h4-7,9-10,15,20-21,23H,8,11-14,16-17H2,1-3H3,(H2,28,29,31)/t20-,23-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
MXVSXIFEPKIFKU-REWPJTCUSA-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