General Information of the Compound
Compound ID
CP0078427
Compound Name
4-Fluoro-N-[3-(1-methyl-4-piperidinyl)-1H-indol-5-yl]benzamide
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Synonyms
182563-08-2
4-Fluoro-N-(3-(1-methylpiperidin-4-yl)-1H-indol-5-yl)benzamide
4-Fluoro-N-[3-(1-methyl-piperidin-4-yl)-1H-indol-5-yl]-benzamide
4-fluoro-N-[3-(1-methyl-4-piperidinyl)-1h-indol-5-yl]-benzamide
4-fluoro-N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]benzamide
5Q7I1WL2UY
AC1NSKBH
BCP29131
BDBM50130461
CHEMBL101690
CS-0025021
DTXSID40415518
GTPL151
GTPL20
HY-103107
L000364
LY 334370
LY-334,370
LY-334370
LY334370
NCGC00378776-02
SCHEMBL6911508
UNII-5Q7I1WL2UY
ZINC1488294
[3H]LY334370
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Structure
Formula
C21H22FN3O
Molecular Weight
351.425
Canonical SMILES
CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)c3ccc(F)cc3)cc12
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InChI
InChI=1S/C21H22FN3O/c1-25-10-8-14(9-11-25)19-13-23-20-7-6-17(12-18(19)20)24-21(26)15-2-4-16(22)5-3-15/h2-7,12-14,23H,8-11H2,1H3,(H,24,26)
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InChIKey
MDMJLMDBRQXOOI-UHFFFAOYSA-N
Physicochemical Property
logP
4.3685
Rotatable Bonds
3
Heavy Atom Count
26
Polar Areas
48.13
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
26

"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).

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PubChem ID
CID: 5311258
SID: 14925440
ChEMBL ID
CHEMBL101690
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
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
Ki = 83 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 240 nM
Protein ID: PT00827, 5-hydroxytryptamine receptor 1D
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
Ki = 137 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 430 nM
Clinical Information about the Compound
Drug 1 ( LY-334370 )
Drug Name LY-334370
Indication
Migraine
Phase 2
Target(s)
5-HT 1F receptor (HTR1F)
Modulator