General Information of the Compound
Compound ID
CP0483153
Compound Name
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-[(4-methylphenyl)methoxy]-4-oxochromene-2-carboxamide
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Structure
Formula
C29H26N2O5
Molecular Weight
482.536
Canonical SMILES
COc1ccc2[nH]cc(CCNC(=O)c3cc(=O)c4c(OCc5ccc(C)cc5)cccc4o3)c2c1
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InChI
InChI=1S/C29H26N2O5/c1-18-6-8-19(9-7-18)17-35-25-4-3-5-26-28(25)24(32)15-27(36-26)29(33)30-13-12-20-16-31-23-11-10-21(34-2)14-22(20)23/h3-11,14-16,31H,12-13,17H2,1-2H3,(H,30,33)
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InChIKey
PBCHRNMPZHSGCE-UHFFFAOYSA-N
Physicochemical Property
logP
5.14282
Rotatable Bonds
8
Heavy Atom Count
36
Polar Areas
93.56
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
36

"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: 56951138
SID: 135657992
ChEMBL ID
CHEMBL2011289
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 = 200 nM
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