General Information of the Compound
Compound ID
CP0867392
Compound Name
N4-(4-Fluorophenyl)-9H-indeno[2,1-d]pyrimidine-2,4-diamine
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Structure
Formula
C17H13FN4
Molecular Weight
292.317
Canonical SMILES
Nc1nc2c(c(Nc3ccc(F)cc3)n1)-c1ccccc1C2
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InChI
InChI=1S/C17H13FN4/c18-11-5-7-12(8-6-11)20-16-15-13-4-2-1-3-10(13)9-14(15)21-17(19)22-16/h1-8H,9H2,(H3,19,20,21,22)
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InChIKey
SRFCANVGZHMDGN-UHFFFAOYSA-N
Physicochemical Property
logP
3.5127
Rotatable Bonds
2
Heavy Atom Count
22
Polar Areas
63.83
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
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: 25218336
SID: 57560000
ChEMBL ID
CHEMBL2047241
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: PT00844, Platelet-derived growth factor receptor beta
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000117 SF539 Homo sapiens (Human)  1
1
IC50 = 5900 nM
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   LI
   LO
   TS
Protein ID: PT00864, Vascular endothelial growth factor receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000118 U-251MG Homo sapiens (Human)  1
1
IC50 = 89300 nM
   TI
   LI
   LO
   TS