General Information of the Compound
Compound ID
CP0161079
Compound Name
10-(3-(4-hydroxypiperidin-1-yl)propyl)-10H-phenothiazine-2-carbonitrile
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Synonyms
10-(3-(4-Hydroxypiperidino)propyl)phenothiazine-2-carbonitrile
10-[3-(4-hydroxypiperidin-1-yl)propyl]-10H-phenothiazine-2-carbonitrile
10-[3-(4-hydroxypiperidin-1-yl)propyl]phenothiazine-2-carbonitrile
2-Cyano-10-(3-(4-hydroxy-1-piperidyl)propyl)phenothiazine
2-Cyano-10-(3-(4-hydroxypiperidino)propyl)phenothiazine
6909 RP
Aolept
Bayer 1409
Cyano-3 ((hydroxy-4 piperidyl-1)-3 propyl)-10 phenothiazine
Cyano-3 ((hydroxy-4 piperidyl-1)-3 propyl)-10 phenothiazine [French]
IC 6002
Nemactil
Neulactil
Neulactil (TN)
Neuleptil
Neuleptil (TN)
PERICYAZINE
Periciazina
Periciazina [INN-Spanish]
Periciazine
Periciazinum
Periciazinum [INN-Latin]
Piperocyanomazine;Periciazine [INN]
Propericiazine
Propericiazine (JAN)
Propericiazine(jan)
RP 8908
SKF 20,716
WH 7508
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Structure
Formula
C21H23N3OS
Molecular Weight
365.502
Canonical SMILES
OC1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C#N)CC1
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InChI
InChI=1S/C21H23N3OS/c22-15-16-6-7-21-19(14-16)24(18-4-1-2-5-20(18)26-21)11-3-10-23-12-8-17(25)9-13-23/h1-2,4-7,14,17,25H,3,8-13H2
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InChIKey
LUALIOATIOESLM-UHFFFAOYSA-N
CAS
2622-26-6
Physicochemical Property
logP
4.00778
Rotatable Bonds
4
Heavy Atom Count
26
Polar Areas
50.5
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
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: 4747
SID: 14803709
ChEMBL ID
CHEMBL251940
DrugBank ID
DB01608
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: PT06109, Geminin
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000015 SW480
 Cell Line Info 
Homo sapiens (Human)  1
1
Potency ~ 13335.9 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Propericiazine )
Drug Name Propericiazine
Company Sanofi-Aventis
Indication
Psychiatric disorder
Approved
Target(s)
Adrenergic receptor alpha-1B (ADRA1B)
 Target Info 
Binder