General Information of the Compound
Compound ID
CP0500958
Compound Name
7-(4-butylphenyl)-5,10-dihydroindeno[1,2-b]indole-2-carboxamide
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Structure
Formula
C26H24N2O
Molecular Weight
380.491
Canonical SMILES
CCCCc1ccc(cc1)-c1ccc2c3Cc4cc(ccc4-c3[nH]c2c1)C(N)=O
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InChI
InChI=1S/C26H24N2O/c1-2-3-4-16-5-7-17(8-6-16)18-9-12-22-23-14-20-13-19(26(27)29)10-11-21(20)25(23)28-24(22)15-18/h5-13,15,28H,2-4,14H2,1H3,(H2,27,29)
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InChIKey
OVTMXHIDPSZPAY-UHFFFAOYSA-N
Physicochemical Property
logP
5.8476
Rotatable Bonds
5
Heavy Atom Count
29
Polar Areas
58.88
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
1
Complexity
29

"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: 44580278
ChEMBL ID
CHEMBL496950
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: PT06051, Thrombopoietin receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000077 Ba/F3 Mus musculus (Mouse)  1
1
EC50 = 86 nM
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