General Information of the Compound
Compound ID
CP0107741
Compound Name
3-(2-(4-(4-fluorobenzoyl)piperidin-1-yl)ethyl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one
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Synonyms
3-(2-(4-(p-Fluorobenzoyl)piperidino)ethyl)-2-thio-2,4(1H,3H)-quinazolinedione L-(+)-tartrate (1:1)
3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-2-sulfanylidene-1H-quinazolin-4-one
4(1H)-Quinazolinone, 3-(2-(4-(4-fluorobenzoyl)-1-piperidinyl)ethyl)-2,3-dihydro-2-thioxo-, (R-(R*,R
79449-96-0
9P204CHE8J
AC1MHW43
AC1Q59OU
ALTANSERIN
ALTANSERIN TARTRATE
Altanserin tartrate (USAN)
Altanserin tartrate [USAN]
D02836
DTXSID20229675
EINECS 279-159-5
R-53,200
SCHEMBL124036
UNII-9P204CHE8J
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Structure
Formula
C22H22FN3O2S
Molecular Weight
411.502
Canonical SMILES
Fc1ccc(cc1)C(=O)C1CCN(CCn2c(=S)[nH]c3ccccc3c2=O)CC1
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InChI
InChI=1S/C22H22FN3O2S/c23-17-7-5-15(6-8-17)20(27)16-9-11-25(12-10-16)13-14-26-21(28)18-3-1-2-4-19(18)24-22(26)29/h1-8,16H,9-14H2,(H,24,29)
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InChIKey
SMYALUSCZJXWHG-UHFFFAOYSA-N
CAS
76330-71-7
Physicochemical Property
logP
3.79309
Rotatable Bonds
5
Heavy Atom Count
29
Polar Areas
58.1
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
29

"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: 3033677
SID: 14855384
ChEMBL ID
CHEMBL62919
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: PT01492, 5-hydroxytryptamine receptor 2A
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000744 GF62
 Cell Line Info 
Epinephelus awoara (Yellow grouper)  1
1
Ki = 0.72 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( ALTANSERIN )
Drug Name ALTANSERIN
Target(s)
5-HT 2A receptor (HTR2A)
 Target Info 
Inhibitor