General Information of the Compound
Compound ID
CP0905492
Compound Name
(R)-N-((3-cyclopentyl-2-((N-hydroxyformamido)methyl)propanamido)methyl)-3'-ethoxy-[1,1'-biphenyl]-3-carboxamide
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Structure
Formula
C26H33N3O5
Molecular Weight
467.566
Canonical SMILES
CCOc1cccc(-c2cccc(C(=O)NCNC(=O)[C@H](CC3CCCC3)CN(O)C=O)c2)c1
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InChI
InChI=1S/C26H33N3O5/c1-2-34-24-12-6-10-21(15-24)20-9-5-11-22(14-20)25(31)27-17-28-26(32)23(16-29(33)18-30)13-19-7-3-4-8-19/h5-6,9-12,14-15,18-19,23,33H,2-4,7-8,13,16-17H2,1H3,(H,27,31)(H,28,32)/t23-/m1/s1
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InChIKey
YBOKJFMPYGEQQO-HSZRJFAPSA-N
Physicochemical Property
logP
3.5999
Rotatable Bonds
12
Heavy Atom Count
34
Polar Areas
107.97
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
5
Complexity
34

"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: 124189166
ChEMBL ID
CHEMBL4532888
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