General Information of the Compound
Compound ID
CP0869106
Compound Name
(R)-N-((2-((N-hydroxyformamido)methyl)heptanamido)methyl)-2',5'-dimethoxy-[1,1'-biphenyl]-3-carboxamide
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Structure
Formula
C25H33N3O6
Molecular Weight
471.554
Canonical SMILES
CCCCC[C@H](CN(O)C=O)C(=O)NCNC(=O)c1cccc(-c2cc(OC)ccc2OC)c1
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InChI
InChI=1S/C25H33N3O6/c1-4-5-6-8-20(15-28(32)17-29)25(31)27-16-26-24(30)19-10-7-9-18(13-19)22-14-21(33-2)11-12-23(22)34-3/h7,9-14,17,20,32H,4-6,8,15-16H2,1-3H3,(H,26,30)(H,27,31)/t20-/m1/s1
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InChIKey
PYFYRRXMSMXLIT-HXUWFJFHSA-N
Physicochemical Property
logP
3.2184
Rotatable Bonds
14
Heavy Atom Count
34
Polar Areas
117.2
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
6
Complexity
34

"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: 124189639
ChEMBL ID
CHEMBL4538571
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
Protein ID: PT06770, Tolloid-like protein 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000856 CHO E1a Cricetulus griseus (Chinese hamster)  1
1
IC50 < 630.96 nM
   TI
   LI
   LO
   TS