General Information of the Compound
Compound ID
CP0912328
Compound Name
(R)-N-((2-((N-hydroxyformamido)methyl)heptanamido)methyl)-3'-methoxy-[1,1'-biphenyl]-3-carboxamide
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Structure
Formula
C24H31N3O5
Molecular Weight
441.528
Canonical SMILES
CCCCC[C@H](CN(O)C=O)C(=O)NCNC(=O)c1cccc(-c2cccc(OC)c2)c1
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InChI
InChI=1S/C24H31N3O5/c1-3-4-5-8-21(15-27(31)17-28)24(30)26-16-25-23(29)20-11-6-9-18(13-20)19-10-7-12-22(14-19)32-2/h6-7,9-14,17,21,31H,3-5,8,15-16H2,1-2H3,(H,25,29)(H,26,30)/t21-/m1/s1
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InChIKey
PZJGMDXZXSOKSJ-OAQYLSRUSA-N
Physicochemical Property
logP
3.2098
Rotatable Bonds
13
Heavy Atom Count
32
Polar Areas
107.97
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
5
Complexity
32

"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: 145227900
ChEMBL ID
CHEMBL4520692
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