General Information of the Compound
Compound ID
CP0523443
Compound Name
N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-(1-propan-2-ylpiperidin-4-yl)oxypyridine-2-carboxamide
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Structure
Formula
C28H36N6O4
Molecular Weight
520.634
Canonical SMILES
CC(C)N1CCC(CC1)Oc1ccc(nc1)C(=O)Nc1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1
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InChI
InChI=1S/C28H36N6O4/c1-18(2)34-14-12-21(13-15-34)37-22-10-11-23(29-17-22)26(35)30-19-6-8-20(9-7-19)31-27(36)32-25-16-24(38-33-25)28(3,4)5/h6-11,16-18,21H,12-15H2,1-5H3,(H,30,35)(H2,31,32,33,36)
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InChIKey
FGOGRVVUAJAJDC-UHFFFAOYSA-N
Physicochemical Property
logP
5.515
Rotatable Bonds
7
Heavy Atom Count
38
Polar Areas
121.62
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
7
Complexity
38

"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: 54762049
SID: 163513020
ChEMBL ID
CHEMBL2203435
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: PT02032, Macrophage colony-stimulating factor 1 receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000124 NFS-60 Mus musculus (Mouse)  1
1
IC50 = 78 nM
   TI
   LI
   LO
   TS
Protein ID: PT01008, Macrophage colony-stimulating factor 1 receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Kd = 1.2 nM
   TI
   LI
   LO
   TS
Protein ID: PT01204, Receptor-type tyrosine-protein kinase FLT3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Kd = 0.6 nM
   TI
   LI
   LO
   TS