General Information of the Compound
| Compound ID |
CP0104207
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-1-(2-(3,5-dimethylphenyl)-3-(1-(2-(tetrahydro-2H-pyran-4-yl)ethylamino)propan-2-yl)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-5(4H)-yl)-2-(2-(trifluoromethyl)phenyl)ethanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C34H42F3N3O2
|
||||||||||||||||||
| Molecular Weight |
581.723
|
||||||||||||||||||
| Canonical SMILES |
C[C@H](CNCCC1CCOCC1)c1c2CN(CCc2[nH]c1-c1cc(C)cc(C)c1)C(=O)Cc1ccccc1C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C34H42F3N3O2/c1-22-16-23(2)18-27(17-22)33-32(24(3)20-38-12-8-25-10-14-42-15-11-25)28-21-40(13-9-30(28)39-33)31(41)19-26-6-4-5-7-29(26)34(35,36)37/h4-7,16-18,24-25,38-39H,8-15,19-21H2,1-3H3/t24-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
QBZQELMSTKBNER-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