General Information of the Compound
Compound ID
CP0883805
Compound Name
(R)-3-(4,5-dimethyloxazol-2-yl)-N-((2-((N-hydroxyformamido)methyl)heptanamido)methyl)benzamide
    Show/Hide
Structure
Formula
C22H30N4O5
Molecular Weight
430.505
Canonical SMILES
CCCCC[C@H](CN(O)C=O)C(=O)NCNC(=O)c1cccc(-c2nc(C)c(C)o2)c1
    Show/Hide
InChI
InChI=1S/C22H30N4O5/c1-4-5-6-8-19(12-26(30)14-27)21(29)24-13-23-20(28)17-9-7-10-18(11-17)22-25-15(2)16(3)31-22/h7,9-11,14,19,30H,4-6,8,12-13H2,1-3H3,(H,23,28)(H,24,29)/t19-/m1/s1
    Show/Hide
InChIKey
IZBBFMFPWOUHAV-LJQANCHMSA-N
Physicochemical Property
logP
2.80604
Rotatable Bonds
12
Heavy Atom Count
31
Polar Areas
124.77
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
6
Complexity
31

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 145227755
ChEMBL ID
CHEMBL4569823
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