General Information of the Compound
| Compound ID |
CP0528566
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-2-(4-(3-bromopyridin-2-yl)-2-methylpiperazin-1-yl)-6-(trifluoromethyl)-4-(3,4,5-trifluorophenyl)-1H-benzo[d]imidazole
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H18BrF6N5
|
||||||||||||||||||
| Molecular Weight |
570.335
|
||||||||||||||||||
| Canonical SMILES |
C[C@H]1CN(CCN1c1nc2c(cc(cc2[nH]1)C(F)(F)F)-c1cc(F)c(F)c(F)c1)c1ncccc1Br
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H18BrF6N5/c1-12-11-35(22-16(25)3-2-4-32-22)5-6-36(12)23-33-19-10-14(24(29,30)31)9-15(21(19)34-23)13-7-17(26)20(28)18(27)8-13/h2-4,7-10,12H,5-6,11H2,1H3,(H,33,34)/t12-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
XXIWXQGVLZUIOD-LBPRGKRZSA-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