General Information of the Compound
Compound ID
CP0903515
Compound Name
(R)-N-((2-((N-hydroxyformamido)methyl)heptanamido)methyl)-5-(3-isopropoxyphenyl)furan-2-carboxamide
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Structure
Formula
C24H33N3O6
Molecular Weight
459.543
Canonical SMILES
CCCCC[C@H](CN(O)C=O)C(=O)NCNC(=O)c1ccc(-c2cccc(OC(C)C)c2)o1
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InChI
InChI=1S/C24H33N3O6/c1-4-5-6-8-19(14-27(31)16-28)23(29)25-15-26-24(30)22-12-11-21(33-22)18-9-7-10-20(13-18)32-17(2)3/h7,9-13,16-17,19,31H,4-6,8,14-15H2,1-3H3,(H,25,29)(H,26,30)/t19-/m1/s1
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InChIKey
YVQOFCJBGMUWCK-LJQANCHMSA-N
Physicochemical Property
logP
3.5814
Rotatable Bonds
14
Heavy Atom Count
33
Polar Areas
121.11
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
6
Complexity
33

"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: 118226212
ChEMBL ID
CHEMBL4535158
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
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