General Information of the Compound
Compound ID
CP0954379
Compound Name
3-ethoxy-5-(5-(((3-(N-hydroxyformamido)propanamido)methyl)carbamoyl)furan-2-yl)benzoic acid
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Structure
Formula
C19H21N3O8
Molecular Weight
419.39
Canonical SMILES
CCOc1cc(C(=O)O)cc(-c2ccc(C(=O)NCNC(=O)CCN(O)C=O)o2)c1
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InChI
InChI=1S/C19H21N3O8/c1-2-29-14-8-12(7-13(9-14)19(26)27)15-3-4-16(30-15)18(25)21-10-20-17(24)5-6-22(28)11-23/h3-4,7-9,11,28H,2,5-6,10H2,1H3,(H,20,24)(H,21,25)(H,26,27)
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InChIKey
ZVUCDJYSVFEOKT-UHFFFAOYSA-N
Physicochemical Property
logP
1.0847
Rotatable Bonds
11
Heavy Atom Count
30
Polar Areas
158.41
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
7
Complexity
30

"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: 118225830
ChEMBL ID
CHEMBL4561311
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: PT04609, Tolloid-like protein 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000856 CHO E1a Cricetulus griseus (Chinese hamster)  1
1
IC50 < 398.11 nM
   TI
   LI
   LO
   TS