General Information of the Compound
Compound ID
CP0432247
Compound Name
2-(1,2-dihydroacenaphthylen-5-yl)-1-(4-methoxynaphthalen-1-yl)guanidine
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Synonyms
CNS-1237
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Structure
Formula
C24H21N3O
Molecular Weight
367.452
Canonical SMILES
COc1ccc(N=C(N)Nc2ccc3CCc4cccc2c34)c2ccccc12
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InChI
InChI=1S/C24H21N3O/c1-28-22-14-13-20(17-6-2-3-7-18(17)22)26-24(25)27-21-12-11-16-10-9-15-5-4-8-19(21)23(15)16/h2-8,11-14H,9-10H2,1H3,(H3,25,26,27)
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InChIKey
AZZRFSWIWLKNLQ-UHFFFAOYSA-N
Physicochemical Property
logP
5.1585
Rotatable Bonds
3
Heavy Atom Count
28
Polar Areas
59.64
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
28

"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: 9907241
SID: 14877189
ChEMBL ID
CHEMBL28853
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: PT04059, Sodium channel protein type 2 subunit alpha
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 1640 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( CNS-1237 )
Drug Name CNS-1237
Company CeNeS Pharmaceuticals Inc
Indication
Cerebrovascular ischaemia
Terminated
Target(s)
Charybdotoxin receptor beta-4 (BKbeta4)
Modulator