General Information of the Compound
Compound ID
CP0192178
Compound Name
3-[[4-(1,3-benzothiazol-6-yl)-5-(4-methyl-1,3-thiazol-2-yl)-1H-imidazol-2-yl]methyl]-1,3-oxazolidin-2-one
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Structure
Formula
C18H15N5O2S2
Molecular Weight
397.485
Canonical SMILES
Cc1csc(n1)-c1[nH]c(CN2CCOC2=O)nc1-c1ccc2ncsc2c1
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InChI
InChI=1S/C18H15N5O2S2/c1-10-8-26-17(20-10)16-15(11-2-3-12-13(6-11)27-9-19-12)21-14(22-16)7-23-4-5-25-18(23)24/h2-3,6,8-9H,4-5,7H2,1H3,(H,21,22)
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InChIKey
GPJWZJBHICKXBV-UHFFFAOYSA-N
Physicochemical Property
logP
4.07052
Rotatable Bonds
4
Heavy Atom Count
27
Polar Areas
84
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
7
Complexity
27

"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: 135442675
SID: 16417019
ChEMBL ID
CHEMBL2208017
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: PT01221, TGF-beta receptor type-1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000068 A-549 Homo sapiens (Human)  1
1
IC50 = 92 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 8.1 nM