General Information of the Compound
Compound ID
CP0078831
Compound Name
9-(3-((3S,5R)-3,5-dimethylpiperazin-1-yl)propyl)-9H-carbazole
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Synonyms
9-[3-(Cis-3,5-Dimethyl-1-Piperazinyl)Propyl]Carbazole Hydrochloride
9-[3-(cis-3,5-Dimethyl-1-piperazinyl)propyl]carbazole dihydrochloride monohydrate
9-[3-[(3R,5S)-3,5-dimethylpiperazin-1-yl]propyl]carbazole
9-[3-[(3S,5R)-3,5-dimethylpiperazin-1-yl]propyl]carbazole
BW 234U
BW-234U
Cis-9-(3-(3,5-dimethyl-1-piperazinyl)propyl)carbazole
Rimcazol
Rimcazol [INN-Spanish]
Rimcazole
Rimcazole [INN]
Rimcazolum
Rimcazolum [INN-Latin]
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Structure
Formula
C21H27N3
Molecular Weight
321.468
Canonical SMILES
C[C@H]1CN(CCCn2c3ccccc3c3ccccc23)C[C@@H](C)N1
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InChI
InChI=1S/C21H27N3/c1-16-14-23(15-17(2)22-16)12-7-13-24-20-10-5-3-8-18(20)19-9-4-6-11-21(19)24/h3-6,8-11,16-17,22H,7,12-15H2,1-2H3/t16-,17+
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InChIKey
GUDVQJXODNJRIJ-CALCHBBNSA-N
CAS
75859-04-0
Physicochemical Property
logP
3.8668
Rotatable Bonds
4
Heavy Atom Count
24
Polar Areas
20.2
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
24

"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: 53389
SID: 14826188
ChEMBL ID
CHEMBL275707
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 ~ 21136 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Rimcazole )
Drug Name Rimcazole
Company GlaxoSmithKline
Indication
Schizophrenia
Terminated
Target(s)
Opioid receptor sigma 1 (OPRS1)
 Target Info 
Antagonist