General Information of the Compound
| Compound ID |
CP0366521
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[4-[[6-[[(1R)-2-methoxy-1-phenylethyl]carbamoyl]-4-methyl-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C35H35N3O4
|
||||||||||||||||||
| Molecular Weight |
561.682
|
||||||||||||||||||
| Canonical SMILES |
CCCc1nc2c(C)cc(cc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O)C(=O)N[C@@H](COC)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C35H35N3O4/c1-4-10-32-37-33-23(2)19-27(34(39)36-30(22-42-3)26-11-6-5-7-12-26)20-31(33)38(32)21-24-15-17-25(18-16-24)28-13-8-9-14-29(28)35(40)41/h5-9,11-20,30H,4,10,21-22H2,1-3H3,(H,36,39)(H,40,41)/t30-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
NGPSRLHASDZZFZ-PMERELPUSA-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