General Information of the Compound
Compound ID
CP0502955
Compound Name
2-{4-[3-(5-tert-Butyl-isoxazol-3-yl)ureido]phenyl}imidazo[2,1-b][1,3]benzothiazole-7-carboxylate
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Structure
Formula
C24H21N5O4S
Molecular Weight
475.53
Canonical SMILES
CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2cc(ccc32)C(O)=O)no1
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InChI
InChI=1S/C24H21N5O4S/c1-24(2,3)19-11-20(28-33-19)27-22(32)25-15-7-4-13(5-8-15)16-12-29-17-9-6-14(21(30)31)10-18(17)34-23(29)26-16/h4-12H,1-3H3,(H,30,31)(H2,25,27,28,32)
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InChIKey
WCKIQBNFMHWBGG-UHFFFAOYSA-N
Physicochemical Property
logP
5.8437
Rotatable Bonds
4
Heavy Atom Count
34
Polar Areas
121.76
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
7
Complexity
34

"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: 24890231
SID: 51082706
ChEMBL ID
CHEMBL584710
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: 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 = 1.6 nM
   TI
   LI
   LO
   TS