General Information of the Compound
Compound ID
CP0311458
Compound Name
1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-ol
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Structure
Formula
C14H19NO
Molecular Weight
217.312
Canonical SMILES
OC1CCN(CC1)C1Cc2ccccc2C1
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InChI
InChI=1S/C14H19NO/c16-14-5-7-15(8-6-14)13-9-11-3-1-2-4-12(11)10-13/h1-4,13-14,16H,5-10H2
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InChIKey
LDKZBNVNFNFMKR-UHFFFAOYSA-N
Physicochemical Property
logP
1.6105
Rotatable Bonds
1
Heavy Atom Count
16
Polar Areas
23.47
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
16

"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: 30982880
ChEMBL ID
CHEMBL4779393
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