General Information of the Compound
| Compound ID |
CP0152366
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[7-[6-[(1S)-1,2-dihydroxyethyl]pyridin-2-yl]-1-[4-(trifluoromethyl)phenyl]-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H25F3N4O3
|
||||||||||||||||||
| Molecular Weight |
486.494
|
||||||||||||||||||
| Canonical SMILES |
NC(=O)CN1CCN(c2ccc(cc2)C(F)(F)F)c2ccc(cc2C1)-c1cccc(n1)[C@H](O)CO
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H25F3N4O3/c26-25(27,28)18-5-7-19(8-6-18)32-11-10-31(14-24(29)35)13-17-12-16(4-9-22(17)32)20-2-1-3-21(30-20)23(34)15-33/h1-9,12,23,33-34H,10-11,13-15H2,(H2,29,35)/t23-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
JZIOFLIRALQRJW-HSZRJFAPSA-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