General Information of the Compound
Compound ID
CP0441538
Compound Name
N-(dicyclopropylmethyl)-3,4-dihydro-2H-pyrrol-5-amine
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Structure
Formula
C11H18N2
Molecular Weight
178.279
Canonical SMILES
C1CC1C(NC1=NCCC1)C1CC1
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InChI
InChI=1S/C11H18N2/c1-2-10(12-7-1)13-11(8-3-4-8)9-5-6-9/h8-9,11H,1-7H2,(H,12,13)
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InChIKey
YBMVUXMKXCIESU-UHFFFAOYSA-N
Physicochemical Property
logP
1.9569
Rotatable Bonds
3
Heavy Atom Count
13
Polar Areas
24.39
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
13

"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: 10313366
SID: 15322040
ChEMBL ID
CHEMBL288951
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: PT02100, Nischarin
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000868 PC12 Rattus norvegicus (Rat)  1
1
Ki = 512.86 nM
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