General Information of the Compound
Compound ID
CP0156291
Compound Name
6-(3-aminopropyl)indeno[1,2-c]isoquinoline-5,11-dione
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Structure
Formula
C19H16N2O2
Molecular Weight
304.349
Canonical SMILES
NCCCn1c2-c3ccccc3C(=O)c2c2ccccc2c1=O
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InChI
InChI=1S/C19H16N2O2/c20-10-5-11-21-17-13-7-2-3-8-14(13)18(22)16(17)12-6-1-4-9-15(12)19(21)23/h1-4,6-9H,5,10-11,20H2
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InChIKey
JWMIPWLLAVVHDH-UHFFFAOYSA-N
Physicochemical Property
logP
2.5617
Rotatable Bonds
3
Heavy Atom Count
23
Polar Areas
65.09
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
23

"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: 11220435
SID: 16303571
ChEMBL ID
CHEMBL213072
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: PT01930, Retinoic acid receptor RXR-alpha
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000109 COS-1 Chlorocebus aethiops (Green monkey)  1
1
EC50 = 8660 nM
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