General Information of the Compound
Compound ID
CP0941937
Compound Name
2-Phenyl-3,4-dihydro-2H-quinoline-1-carboxamidine hydrochloride
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Structure
Formula
C16H18ClN3
Molecular Weight
287.794
Canonical SMILES
Cl.N=C(N)N1c2ccccc2CCC1c1ccccc1
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InChI
InChI=1S/C16H17N3.ClH/c17-16(18)19-14-9-5-4-8-13(14)10-11-15(19)12-6-2-1-3-7-12;/h1-9,15H,10-11H2,(H3,17,18);1H
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InChIKey
LDVCGIKEIGIGBC-UHFFFAOYSA-N
Physicochemical Property
logP
3.49577
Rotatable Bonds
1
Heavy Atom Count
20
Polar Areas
53.11
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
1
Complexity
20

"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: 10565239
SID: 15593011
ChEMBL ID
CHEMBL553355
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 = 17550 nM
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