General Information of the Compound
Compound ID
CP0959433
Compound Name
SID50106961
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Synonyms
(R)-3-((2-(2-(4-Methylpiperidin-1-yl)ethyl)pyrrolidin-1-yl)sulfonyl)phenol hydrochloride
(R)-3-[2-[2-(4-Methylpiperidin-1-yl)ethyl]pyrrolidine-1-sulfonyl]phenol hydrochloride
261901-57-9
ANW-62575
BCP14529
C18H29ClN2O3S
CHEMBL1256844
CTK8B9470
EU-0101059
KS-00000XMZ
MFCD03788020
MLS002153418
MolPort-003-959-592
SB 269970 hcl
SB 269970 hydrochloride
SB 269970-A
SB-269970 (hydrochloride)
SB-269970 HCl
SB-269970 hydrochloride
SB269970 HCl
SB269970 hydrochloride
SCHEMBL2719586
SR-01000076135
Tox21_501059
s2849
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Structure
Formula
C18H29ClN2O3S
Molecular Weight
388.961
Canonical SMILES
CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc(O)c2)CC1.Cl
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InChI
InChI=1S/C18H28N2O3S.ClH/c1-15-7-11-19(12-8-15)13-9-16-4-3-10-20(16)24(22,23)18-6-2-5-17(21)14-18;/h2,5-6,14-16,21H,3-4,7-13H2,1H3;1H/t16-;/m1./s1
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InChIKey
XQCJOYZLWFNDIO-PKLMIRHRSA-N
Physicochemical Property
logP
3.0891
Rotatable Bonds
5
Heavy Atom Count
25
Polar Areas
60.85
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
25

"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: 11957684
SID: 24260372
ChEMBL ID
CHEMBL1256844
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: PT00941, 5-hydroxytryptamine receptor 7
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  1
1
Ki = 1.259 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( SB 269970-A )
Drug Name SB 269970-A
Target(s)
5-HT 7 receptor (HTR7)
 Target Info 
Antagonist