General Information of the Compound
Compound ID
CP0524369
Compound Name
(R)-2-(6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl)-N,N-dimethyloxazole-4-carboxamide
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Structure
Formula
C18H29N3O4
Molecular Weight
351.447
Canonical SMILES
CN(C)C(=O)c1coc(n1)[C@H](CCCC1CCCCC1)CC(=O)NO
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InChI
InChI=1S/C18H29N3O4/c1-21(2)18(23)15-12-25-17(19-15)14(11-16(22)20-24)10-6-9-13-7-4-3-5-8-13/h12-14,24H,3-11H2,1-2H3,(H,20,22)/t14-/m1/s1
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InChIKey
XCNVYYDGOWJOOG-CQSZACIVSA-N
Physicochemical Property
logP
3.1061
Rotatable Bonds
8
Heavy Atom Count
25
Polar Areas
95.67
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
25

"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: 10132648
SID: 15123816
ChEMBL ID
CHEMBL480926
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 = 45 nM
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