General Information of the Compound
Compound ID
CP0960277
Compound Name
(R)-2'-fluoro-N-((2-((N-hydroxyformamido)methyl)heptanamido)methyl)-[1,1'-biphenyl]-3-carboxamide
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Structure
Formula
C23H28FN3O4
Molecular Weight
429.492
Canonical SMILES
CCCCC[C@H](CN(O)C=O)C(=O)NCNC(=O)c1cccc(-c2ccccc2F)c1
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InChI
InChI=1S/C23H28FN3O4/c1-2-3-4-8-19(14-27(31)16-28)23(30)26-15-25-22(29)18-10-7-9-17(13-18)20-11-5-6-12-21(20)24/h5-7,9-13,16,19,31H,2-4,8,14-15H2,1H3,(H,25,29)(H,26,30)/t19-/m1/s1
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InChIKey
HYSIPLFQMVCLCZ-LJQANCHMSA-N
Physicochemical Property
logP
3.3403
Rotatable Bonds
12
Heavy Atom Count
31
Polar Areas
98.74
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
4
Complexity
31

"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: 145227954
ChEMBL ID
CHEMBL4592248
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