General Information of the Compound
Compound ID
CP0540630
Compound Name
N-[[3-[formyl(hydroxy)amino]propanoylamino]methyl]-7-methoxy-1-benzofuran-2-carboxamide
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Structure
Formula
C15H17N3O6
Molecular Weight
335.316
Canonical SMILES
COc1cccc2cc(oc12)C(=O)NCNC(=O)CCN(O)C=O
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InChI
InChI=1S/C15H17N3O6/c1-23-11-4-2-3-10-7-12(24-14(10)11)15(21)17-8-16-13(20)5-6-18(22)9-19/h2-4,7,9,22H,5-6,8H2,1H3,(H,16,20)(H,17,21)
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InChIKey
LMTOPUVETJLCPW-UHFFFAOYSA-N
Physicochemical Property
logP
0.4826
Rotatable Bonds
8
Heavy Atom Count
24
Polar Areas
121.11
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
6
Complexity
24

"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: 145973252
ChEMBL ID
CHEMBL4215581
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: PT01896, Bone morphogenetic protein 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 6300 nM
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