General Information of the Compound
Compound ID
CP0508884
Compound Name
(R)-2-(6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl)-5-methyloxazole-4-carboxamide
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Structure
Formula
C17H27N3O4
Molecular Weight
337.42
Canonical SMILES
Cc1oc(nc1C(N)=O)[C@H](CCCC1CCCCC1)CC(=O)NO
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InChI
InChI=1S/C17H27N3O4/c1-11-15(16(18)22)19-17(24-11)13(10-14(21)20-23)9-5-8-12-6-3-2-4-7-12/h12-13,23H,2-10H2,1H3,(H2,18,22)(H,20,21)/t13-/m1/s1
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InChIKey
LZWSPBRKBXLFSK-CYBMUJFWSA-N
Physicochemical Property
logP
2.81162
Rotatable Bonds
8
Heavy Atom Count
24
Polar Areas
118.45
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
5
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: 9923900
SID: 14895633
ChEMBL ID
CHEMBL482320
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 = 17 nM
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