General Information of the Compound
Compound ID
CP0570611
Compound Name
3-(2-fluoropyridin-3-yl)pyrimido[1,2-b]indazole
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Formula
C15H9FN4
Molecular Weight
264.263
Canonical SMILES
Fc1ncccc1-c1cnc2c3ccccc3nn2c1
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InChI
InChI=1S/C15H9FN4/c16-14-11(5-3-7-17-14)10-8-18-15-12-4-1-2-6-13(12)19-20(15)9-10/h1-9H
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InChIKey
ATVKANRTNFNBAB-UHFFFAOYSA-N
Physicochemical Property
logP
3.0836
Rotatable Bonds
1
Heavy Atom Count
20
Polar Areas
43.08
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
20

"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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ChEMBL ID
CHEMBL4744827
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: PT00918, Amine oxidase [flavin-containing] A
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000023 BTI-Tn-5B1-4 Trichoplusia ni (Cabbage looper)  1
1
IC50 = 21100 nM
   TI
   LI
   LO
   TS
Protein ID: PT01362, Amine oxidase [flavin-containing] B
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000023 BTI-Tn-5B1-4 Trichoplusia ni (Cabbage looper)  1
1
IC50 = 648 nM
   TI
   LI
   LO
   TS