General Information of the Compound
Compound ID
CP0514561
Compound Name
(R)-2-(6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl)oxazole-4-carboxamide
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Structure
Formula
C16H25N3O4
Molecular Weight
323.393
Canonical SMILES
NC(=O)c1coc(n1)[C@H](CCCC1CCCCC1)CC(=O)NO
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InChI
InChI=1S/C16H25N3O4/c17-15(21)13-10-23-16(18-13)12(9-14(20)19-22)8-4-7-11-5-2-1-3-6-11/h10-12,22H,1-9H2,(H2,17,21)(H,19,20)/t12-/m1/s1
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InChIKey
ZFVXHCJYKWVCGU-GFCCVEGCSA-N
Physicochemical Property
logP
2.5032
Rotatable Bonds
8
Heavy Atom Count
23
Polar Areas
118.45
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
5
Complexity
23

"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: 44571586
ChEMBL ID
CHEMBL480925
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 = 73 nM
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