General Information of the Compound
Compound ID
CP0373311
Compound Name
6-chloro-N-methyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-amine
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Structure
Formula
C11H15ClN2
Molecular Weight
210.708
Canonical SMILES
CNc1ccc2CCNCCc2c1Cl
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InChI
InChI=1S/C11H15ClN2/c1-13-10-3-2-8-4-6-14-7-5-9(8)11(10)12/h2-3,13-14H,4-7H2,1H3
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InChIKey
PNTVUHSRYAJNND-UHFFFAOYSA-N
Physicochemical Property
logP
2.0699
Rotatable Bonds
1
Heavy Atom Count
14
Polar Areas
24.06
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
14

"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: 44451390
ChEMBL ID
CHEMBL405717
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: PT00825, 5-hydroxytryptamine receptor 2A
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 90 nM
   TI
   LI
   LO
   TS
Protein ID: PT01019, 5-hydroxytryptamine receptor 2B
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000065 HEK293-EBNA Homo sapiens (Human)  1
1
Ki = 210 nM
   TI
   LI
   LO
   TS
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 46 nM
   TI
   LI
   LO
   TS