General Information of the Compound
| Compound ID |
CP0471003
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[(2S,4S)-1-[(2,5-dichlorophenyl)methyl]-4-fluoropyrrolidin-2-yl]methanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H24Cl2FN3O
|
||||||||||||||||||
| Molecular Weight |
448.369
|
||||||||||||||||||
| Canonical SMILES |
F[C@H]1C[C@H](N(Cc2cc(Cl)ccc2Cl)C1)C(=O)N1CCN(C2CC2)c2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H24Cl2FN3O/c24-16-5-8-19(25)15(11-16)13-27-14-17(26)12-22(27)23(30)29-10-9-28(18-6-7-18)20-3-1-2-4-21(20)29/h1-5,8,11,17-18,22H,6-7,9-10,12-14H2/t17-,22-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
GWZRJTWIRVHBKY-JTSKRJEESA-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
Protein ID: PT02509, G-protein coupled bile acid receptor 1
Protein ID: PT04975, G-protein coupled bile acid receptor 1