General Information of the Compound
Compound ID
CP0349007
Compound Name
1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethanamine
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Structure
Formula
C16H15N
Molecular Weight
221.303
Canonical SMILES
NCC12CC(c3ccccc13)c1ccccc21
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InChI
InChI=1S/C16H15N/c17-10-16-9-13(11-5-1-3-7-14(11)16)12-6-2-4-8-15(12)16/h1-8,13H,9-10,17H2
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InChIKey
IZUFWQBEJCIXMX-UHFFFAOYSA-N
Physicochemical Property
logP
2.7804
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: 10900179
ChEMBL ID
CHEMBL295814
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
CL000035 NIH 3T3 Mus musculus (Mouse)  1
1
Ki = 6780 nM
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