General Information of the Compound
Compound ID
CP0912340
Compound Name
(R)-2-fluoro-N-((2-((N-hydroxyformamido)methyl)heptanamido)methyl)-3'-methoxy-[1,1'-biphenyl]-3-carboxamide
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Structure
Formula
C24H30FN3O5
Molecular Weight
459.518
Canonical SMILES
CCCCC[C@H](CN(O)C=O)C(=O)NCNC(=O)c1cccc(-c2cccc(OC)c2)c1F
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InChI
InChI=1S/C24H30FN3O5/c1-3-4-5-8-18(14-28(32)16-29)23(30)26-15-27-24(31)21-12-7-11-20(22(21)25)17-9-6-10-19(13-17)33-2/h6-7,9-13,16,18,32H,3-5,8,14-15H2,1-2H3,(H,26,30)(H,27,31)/t18-/m1/s1
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InChIKey
DLGBOWKOIPAXPY-GOSISDBHSA-N
Physicochemical Property
logP
3.3489
Rotatable Bonds
13
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: 154505330
ChEMBL ID
CHEMBL4536725
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