General Information of the Compound
| Compound ID |
CP0263159
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[(1S)-1-(1,6-dimethylbenzimidazol-2-yl)-2-[1-(2-methylpropanoyl)piperidin-4-yl]ethyl]-3-(4-phenoxyphenyl)urea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C33H39N5O3
|
||||||||||||||||||
| Molecular Weight |
553.707
|
||||||||||||||||||
| Canonical SMILES |
CC(C)C(=O)N1CCC(C[C@H](NC(=O)Nc2ccc(Oc3ccccc3)cc2)c2nc3ccc(C)cc3n2C)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C33H39N5O3/c1-22(2)32(39)38-18-16-24(17-19-38)21-29(31-35-28-15-10-23(3)20-30(28)37(31)4)36-33(40)34-25-11-13-27(14-12-25)41-26-8-6-5-7-9-26/h5-15,20,22,24,29H,16-19,21H2,1-4H3,(H2,34,36,40)/t29-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
FKZXKQHGVMOGTK-LJAQVGFWSA-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