General Information of the Compound
Compound ID
CP0551010
Compound Name
2,7-bis(1H-pyrazol-4-yl)-5H-indeno[1,2-b]indol-10-one
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Structure
Formula
C21H13N5O
Molecular Weight
351.369
Canonical SMILES
O=C1c2cc(ccc2-c2[nH]c3cc(ccc3c12)-c1cn[nH]c1)-c1cn[nH]c1
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InChI
InChI=1S/C21H13N5O/c27-21-17-5-11(13-7-22-23-8-13)1-3-15(17)20-19(21)16-4-2-12(6-18(16)26-20)14-9-24-25-10-14/h1-10,26H,(H,22,23)(H,24,25)
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InChIKey
DQWWQMCCBCPCMU-UHFFFAOYSA-N
Physicochemical Property
logP
4.1595
Rotatable Bonds
2
Heavy Atom Count
27
Polar Areas
90.22
Hydrogen Bond Donor Count
3
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: 127051768
ChEMBL ID
CHEMBL3814654
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: PT01204, Receptor-type tyrosine-protein kinase FLT3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000077 Ba/F3 Mus musculus (Mouse)  2
1
IC50 = 126 nM
   TI
   LI
   LO
   TS
2
IC50 = 182 nM
   TI
   LI
   LO
   TS