General Information of the Compound
| Compound ID |
CP0564802
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[(1-cyclopropylmethyl-piperidin-4-ylidene)-(3'-methanesulfonyl-biphenyl-4-yl)-methyl]-5-fluoro-6-trifluoromethyl-1H-benzoimidazole
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H29F4N3O2S
|
||||||||||||||||||
| Molecular Weight |
583.651
|
||||||||||||||||||
| Canonical SMILES |
CS(=O)(=O)c1cccc(c1)-c1ccc(cc1)C(c1nc2cc(c(F)cc2[nH]1)C(F)(F)F)=C1CCN(CC2CC2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H29F4N3O2S/c1-41(39,40)24-4-2-3-23(15-24)20-7-9-21(10-8-20)29(22-11-13-38(14-12-22)18-19-5-6-19)30-36-27-16-25(31(33,34)35)26(32)17-28(27)37-30/h2-4,7-10,15-17,19H,5-6,11-14,18H2,1H3,(H,36,37)
Show/Hide
|
||||||||||||||||||
| InChIKey |
XEGVCTLTXFUGRJ-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