General Information of the Compound
Compound ID
CP0278072
Compound Name
4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
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Structure
Formula
C16H14N2O3S
Molecular Weight
314.366
Canonical SMILES
COc1ccc(cc1)C(=O)Nc1nc2ccc(OC)cc2s1
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InChI
InChI=1S/C16H14N2O3S/c1-20-11-5-3-10(4-6-11)15(19)18-16-17-13-8-7-12(21-2)9-14(13)22-16/h3-9H,1-2H3,(H,17,18,19)
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InChIKey
FESSLFCHRGAANQ-UHFFFAOYSA-N
Physicochemical Property
logP
3.5658
Rotatable Bonds
4
Heavy Atom Count
22
Polar Areas
60.45
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
22

"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: 584682
ChEMBL ID
CHEMBL1350929
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: PT06109, Geminin
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000015 SW480 Homo sapiens (Human)  1
1
Potency ~ 14581 nM
   TI
   LI
   LO
   TS
Protein ID: PT01587, Stearoyl-CoA desaturase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000401 NCI-H2122 Homo sapiens (Human)  1
1
IC50 = 1100 nM
   TI
   LI
   LO
   TS
CL000962 NCI-H2009 Homo sapiens (Human)  1
1
IC50 > 50000 nM
   TI
   LI
   LO
   TS