General Information of the Compound
Compound ID
CP0381932
Compound Name
N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridine-2-carboxamide
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Structure
Formula
C29H38N6O4
Molecular Weight
534.661
Canonical SMILES
CC(C)(C)c1cc(NC(=O)Nc2ccc(NC(=O)c3ccc(OC4CC(C)(C)NC(C)(C)C4)cn3)cc2)no1
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InChI
InChI=1S/C29H38N6O4/c1-27(2,3)23-14-24(34-39-23)33-26(37)32-19-10-8-18(9-11-19)31-25(36)22-13-12-20(17-30-22)38-21-15-28(4,5)35-29(6,7)16-21/h8-14,17,21,35H,15-16H2,1-7H3,(H,31,36)(H2,32,33,34,37)
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InChIKey
PBNPHBXRMOAALS-UHFFFAOYSA-N
Physicochemical Property
logP
5.9514
Rotatable Bonds
6
Heavy Atom Count
39
Polar Areas
130.41
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
7
Complexity
39

"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: 54760612
SID: 163513162
ChEMBL ID
CHEMBL2206279
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 = 74.7 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 = 1.8 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 = 0.3 nM
   TI
   LI
   LO
   TS