General Information of the Compound
Compound ID
CP0089401
Compound Name
C-(10,11-Dihydro-5H-dibenzo[a,d]cyclohepten-5-yl)-methylamine
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Structure
Formula
C16H17N
Molecular Weight
223.319
Canonical SMILES
NCC1c2ccccc2CCc2ccccc12
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InChI
InChI=1S/C16H17N/c17-11-16-14-7-3-1-5-12(14)9-10-13-6-2-4-8-15(13)16/h1-8,16H,9-11,17H2
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InChIKey
YJCNPACNIAQKNY-UHFFFAOYSA-N
CAS
7351-49-7
Physicochemical Property
logP
2.8758
Rotatable Bonds
1
Heavy Atom Count
17
Polar Areas
26.02
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Complexity
17

"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: 202041
SID: 87795887
ChEMBL ID
CHEMBL44819
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: PT01492, 5-hydroxytryptamine receptor 2A
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000035 NIH 3T3 Mus musculus (Mouse)  1
1
Ki = 112 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 110 nM
Protein ID: PT00825, 5-hydroxytryptamine receptor 2A
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000035 NIH 3T3 Mus musculus (Mouse)  1
1
Ki = 112 nM
   TI
   LI
   LO
   TS