General Information of the Compound
Compound ID
CP0905546
Compound Name
(R)-N-((3-cyclopentyl-2-((N-hydroxyformamido)methyl)propanamido)methyl)-3'-hydroxy-[1,1'-biphenyl]-3-carboxamide
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Structure
Formula
C24H29N3O5
Molecular Weight
439.512
Canonical SMILES
O=CN(O)C[C@@H](CC1CCCC1)C(=O)NCNC(=O)c1cccc(-c2cccc(O)c2)c1
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InChI
InChI=1S/C24H29N3O5/c28-16-27(32)14-21(11-17-5-1-2-6-17)24(31)26-15-25-23(30)20-9-3-7-18(12-20)19-8-4-10-22(29)13-19/h3-4,7-10,12-13,16-17,21,29,32H,1-2,5-6,11,14-15H2,(H,25,30)(H,26,31)/t21-/m1/s1
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InChIKey
QVBCXLOKKRUGTE-OAQYLSRUSA-N
Physicochemical Property
logP
2.9068
Rotatable Bonds
10
Heavy Atom Count
32
Polar Areas
118.97
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
5
Complexity
32

"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: 124189162
ChEMBL ID
CHEMBL4584502
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