General Information of the Compound
Compound ID
CP0905495
Compound Name
(R)-N-((2-((N-hydroxyformamido)methyl)heptanamido)methyl)-3'-isopropyl-[1,1'-biphenyl]-3-carboxamide
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Structure
Formula
C26H35N3O4
Molecular Weight
453.583
Canonical SMILES
CCCCC[C@H](CN(O)C=O)C(=O)NCNC(=O)c1cccc(-c2cccc(C(C)C)c2)c1
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InChI
InChI=1S/C26H35N3O4/c1-4-5-6-9-24(16-29(33)18-30)26(32)28-17-27-25(31)23-13-8-12-22(15-23)21-11-7-10-20(14-21)19(2)3/h7-8,10-15,18-19,24,33H,4-6,9,16-17H2,1-3H3,(H,27,31)(H,28,32)/t24-/m1/s1
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InChIKey
IIGGRBXQJFVTPK-XMMPIXPASA-N
Physicochemical Property
logP
4.3246
Rotatable Bonds
13
Heavy Atom Count
33
Polar Areas
98.74
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
4
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: 124189620
ChEMBL ID
CHEMBL4535212
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