General Information of the Compound
| Compound ID |
CP0066011
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[7-[6-[(1S)-1,2-dihydroxyethyl]pyridin-2-yl]-1-[4-(trifluoromethyl)phenyl]-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]ethanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H24F3N3O3
|
||||||||||||||||||
| Molecular Weight |
471.479
|
||||||||||||||||||
| Canonical SMILES |
CC(=O)N1CCN(c2ccc(cc2)C(F)(F)F)c2ccc(cc2C1)-c1cccc(n1)[C@H](O)CO
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H24F3N3O3/c1-16(33)30-11-12-31(20-8-6-19(7-9-20)25(26,27)28)23-10-5-17(13-18(23)14-30)21-3-2-4-22(29-21)24(34)15-32/h2-10,13,24,32,34H,11-12,14-15H2,1H3/t24-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
DXFJWZMNQMYZKB-XMMPIXPASA-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