General Information of the Compound
Compound ID
CP0165142
Compound Name
N-[[1-[3-(dimethylamino)propyl]indol-3-yl]methyl]decan-1-amine
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Structure
Formula
C24H41N3
Molecular Weight
371.613
Canonical SMILES
CCCCCCCCCCNCc1cn(CCCN(C)C)c2ccccc12
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InChI
InChI=1S/C24H41N3/c1-4-5-6-7-8-9-10-13-17-25-20-22-21-27(19-14-18-26(2)3)24-16-12-11-15-23(22)24/h11-12,15-16,21,25H,4-10,13-14,17-20H2,1-3H3
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InChIKey
ZXKCYZJGHXORKJ-UHFFFAOYSA-N
Physicochemical Property
logP
5.8233
Rotatable Bonds
15
Heavy Atom Count
27
Polar Areas
20.2
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
27

"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: 71546959
SID: 163546003
ChEMBL ID
CHEMBL2312430
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: PT04443, Dynamin-2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000043 U2OS Homo sapiens (Human)  1
1
IC50 = 1900 nM
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