General Information of the Compound
Compound ID
CP0502181
Compound Name
(R)-2-(5-(6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl)-1,2,4-oxadiazole-3-carboxamido)acetic acid
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Structure
Formula
C17H26N4O6
Molecular Weight
382.417
Canonical SMILES
ONC(=O)C[C@@H](CCCC1CCCCC1)c1nc(no1)C(=O)NCC(O)=O
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InChI
InChI=1S/C17H26N4O6/c22-13(20-26)9-12(8-4-7-11-5-2-1-3-6-11)17-19-15(21-27-17)16(25)18-10-14(23)24/h11-12,26H,1-10H2,(H,18,25)(H,20,22)(H,23,24)/t12-/m1/s1
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InChIKey
RSGVORYAIGQYKC-GFCCVEGCSA-N
Physicochemical Property
logP
1.6137
Rotatable Bonds
10
Heavy Atom Count
27
Polar Areas
154.65
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
7
Complexity
27

"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: 10271240
SID: 15276172
ChEMBL ID
CHEMBL480191
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 = 21 nM
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