General Information of the Compound
| Compound ID |
CP0467900
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-fluoro-N-(3-{1-[2-(4-{5-[(4-fluorobenzene)amido]-1H-indol-3-yl}piperidin-1-yl)ethyl]piperidin-4-yl}-1H-indol-5-yl)benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C42H42F2N6O2
|
||||||||||||||||||
| Molecular Weight |
700.834
|
||||||||||||||||||
| Canonical SMILES |
Fc1ccc(cc1)C(=O)Nc1ccc2[nH]cc(C3CCN(CCN4CCC(CC4)c4c[nH]c5ccc(NC(=O)c6ccc(F)cc6)cc45)CC3)c2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C42H42F2N6O2/c43-31-5-1-29(2-6-31)41(51)47-33-9-11-39-35(23-33)37(25-45-39)27-13-17-49(18-14-27)21-22-50-19-15-28(16-20-50)38-26-46-40-12-10-34(24-36(38)40)48-42(52)30-3-7-32(44)8-4-30/h1-12,23-28,45-46H,13-22H2,(H,47,51)(H,48,52)
Show/Hide
|
||||||||||||||||||
| InChIKey |
MQOXSVRCBZPXNC-UHFFFAOYSA-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: PT01202, 5-hydroxytryptamine receptor 1B
Protein ID: PT00827, 5-hydroxytryptamine receptor 1D