General Information of the Compound
Compound ID
CP0417918
Compound Name
7-methyl-5-propan-2-yl-7,8-dihydro-6H-indeno[1,2-b]indole-9,10-dione
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Structure
Formula
C19H19NO2
Molecular Weight
293.366
Canonical SMILES
CC(C)n1c2CC(C)CC(=O)c2c2C(=O)c3ccccc3-c12
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InChI
InChI=1S/C19H19NO2/c1-10(2)20-14-8-11(3)9-15(21)16(14)17-18(20)12-6-4-5-7-13(12)19(17)22/h4-7,10-11H,8-9H2,1-3H3
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InChIKey
KLZHCUVZHUIBOR-UHFFFAOYSA-N
Physicochemical Property
logP
4.0454
Rotatable Bonds
1
Heavy Atom Count
22
Polar Areas
39.07
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
22

"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: 66636984
ChEMBL ID
CHEMBL3353413
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: PT02718, Broad substrate specificity ATP-binding cassette transporter ABCG2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 4100 nM
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