General Information of the Compound
Compound ID
CP0950654
Compound Name
5-methyl-N-(4-(morpholinosulfonyl)phenyl)furan-2-carboxamide
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Structure
Formula
C16H18N2O5S
Molecular Weight
350.396
Canonical SMILES
Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)o1
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InChI
InChI=1S/C16H18N2O5S/c1-12-2-7-15(23-12)16(19)17-13-3-5-14(6-4-13)24(20,21)18-8-10-22-11-9-18/h2-7H,8-11H2,1H3,(H,17,19)
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InChIKey
CWULZGJWEIHGGV-UHFFFAOYSA-N
Physicochemical Property
logP
1.86122
Rotatable Bonds
4
Heavy Atom Count
24
Polar Areas
88.85
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
24

"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: 49852460
ChEMBL ID
CHEMBL3360728
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: PT06113, DNA damage-inducible transcript 3 protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
AC50 > 80000 nM
   TI
   LI
   LO
   TS
Protein ID: PT06096, X-box-binding protein 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
AC50 > 80000 nM
   TI
   LI
   LO
   TS