General Information of the Compound
| Compound ID |
CP0480056
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[(10R,15S)-4-benzyl-1,4,12-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16)-trien-12-yl]-1-(4-fluorophenyl)butan-1-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H32FN3O
|
||||||||||||||||||
| Molecular Weight |
469.604
|
||||||||||||||||||
| Canonical SMILES |
Fc1ccc(cc1)C(=O)CCCN1CC[C@H]2[C@@H](C1)c1cccc3N(Cc4ccccc4)CCN2c13
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H32FN3O/c31-24-13-11-23(12-14-24)29(35)10-5-16-32-17-15-27-26(21-32)25-8-4-9-28-30(25)34(27)19-18-33(28)20-22-6-2-1-3-7-22/h1-4,6-9,11-14,26-27H,5,10,15-21H2/t26-,27-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
RLXPBWGKEXGWMJ-SVBPBHIXSA-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: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C
Protein ID: PT00957, D(2) dopamine receptor