General Information of the Compound
Compound ID
CP0905544
Compound Name
(R)-N-((3-cyclopentyl-2-((N-hydroxyformamido)methyl)propanamido)methyl)-2'-methoxy-[1,1'-biphenyl]-3-carboxamide
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Structure
Formula
C25H31N3O5
Molecular Weight
453.539
Canonical SMILES
COc1ccccc1-c1cccc(C(=O)NCNC(=O)[C@H](CC2CCCC2)CN(O)C=O)c1
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InChI
InChI=1S/C25H31N3O5/c1-33-23-12-5-4-11-22(23)19-9-6-10-20(14-19)24(30)26-16-27-25(31)21(15-28(32)17-29)13-18-7-2-3-8-18/h4-6,9-12,14,17-18,21,32H,2-3,7-8,13,15-16H2,1H3,(H,26,30)(H,27,31)/t21-/m1/s1
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InChIKey
OAXLYZKKHPZPKV-OAQYLSRUSA-N
Physicochemical Property
logP
3.2098
Rotatable Bonds
11
Heavy Atom Count
33
Polar Areas
107.97
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
5
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: 145227809
ChEMBL ID
CHEMBL4550816
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