General Information of the Compound
Compound ID
CP0311462
Compound Name
[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methanol
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Structure
Formula
C15H21NO
Molecular Weight
231.339
Canonical SMILES
OCC1CCN(CC1)C1Cc2ccccc2C1
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InChI
InChI=1S/C15H21NO/c17-11-12-5-7-16(8-6-12)15-9-13-3-1-2-4-14(13)10-15/h1-4,12,15,17H,5-11H2
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InChIKey
LVHPIAQBTUVFSJ-UHFFFAOYSA-N
Physicochemical Property
logP
1.8581
Rotatable Bonds
2
Heavy Atom Count
17
Polar Areas
23.47
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
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: 92130772
ChEMBL ID
CHEMBL4797900
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: PT00918, Amine oxidase [flavin-containing] A
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000023 BTI-Tn-5B1-4 Trichoplusia ni (Cabbage looper)  1
1
IC50 > 100000 nM
   TI
   LI
   LO
   TS
Protein ID: PT01362, Amine oxidase [flavin-containing] B
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000023 BTI-Tn-5B1-4 Trichoplusia ni (Cabbage looper)  1
1
IC50 > 100000 nM
   TI
   LI
   LO
   TS