General Information of the Compound
Compound ID
CP0905489
Compound Name
(R)-N3-((2-((N-hydroxyformamido)methyl)heptanamido)methyl)-[1,1'-biphenyl]-3,3'-dicarboxamide
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Structure
Formula
C24H30N4O5
Molecular Weight
454.527
Canonical SMILES
CCCCC[C@H](CN(O)C=O)C(=O)NCNC(=O)c1cccc(-c2cccc(C(N)=O)c2)c1
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InChI
InChI=1S/C24H30N4O5/c1-2-3-4-7-21(14-28(33)16-29)24(32)27-15-26-23(31)20-11-6-9-18(13-20)17-8-5-10-19(12-17)22(25)30/h5-6,8-13,16,21,33H,2-4,7,14-15H2,1H3,(H2,25,30)(H,26,31)(H,27,32)/t21-/m1/s1
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InChIKey
UYORQZGOIYHLTG-OAQYLSRUSA-N
Physicochemical Property
logP
2.3001
Rotatable Bonds
13
Heavy Atom Count
33
Polar Areas
141.83
Hydrogen Bond Donor Count
4
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: 145227911
ChEMBL ID
CHEMBL4541979
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