General Information of the Compound
Compound ID
CP0437749
Compound Name
imidazo[1,2-c]pyrimidine-8-carboxamide, 10t
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Structure
Formula
C24H24N6O5
Molecular Weight
476.493
Canonical SMILES
COC(=O)c1ccc(CNc2nc(Nc3cc(OC)cc(OC)c3)c(C(N)=O)c3nccn23)cc1
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InChI
InChI=1S/C24H24N6O5/c1-33-17-10-16(11-18(12-17)34-2)28-21-19(20(25)31)22-26-8-9-30(22)24(29-21)27-13-14-4-6-15(7-5-14)23(32)35-3/h4-12,28H,13H2,1-3H3,(H2,25,31)(H,27,29)
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InChIKey
HWKDAXVZOSNIPQ-UHFFFAOYSA-N
Physicochemical Property
logP
2.9877
Rotatable Bonds
9
Heavy Atom Count
35
Polar Areas
142.1
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
10
Complexity
35

"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: 25138168
ChEMBL ID
CHEMBL465471
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: PT02470, Lysine--tRNA ligase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 4800 nM
   TI
   LI
   LO
   TS
Protein ID: PT00846, Tyrosine-protein kinase ZAP-70
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 420 nM
   TI
   LI
   LO
   TS