General Information of the Compound
Compound ID
CP0296747
Compound Name
(R)-5-(6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl)-N-methyl-N-((4-methylpiperazin-1-yl)methyl)-1,2,4-oxadiazole-3-carboxamide
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Structure
Formula
C22H38N6O4
Molecular Weight
450.584
Canonical SMILES
CN(CN1CCN(C)CC1)C(=O)c1noc(n1)[C@H](CCCC1CCCCC1)CC(=O)NO
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InChI
InChI=1S/C22H38N6O4/c1-26-11-13-28(14-12-26)16-27(2)22(30)20-23-21(32-25-20)18(15-19(29)24-31)10-6-9-17-7-4-3-5-8-17/h17-18,31H,3-16H2,1-2H3,(H,24,29)/t18-/m1/s1
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InChIKey
ZHPLZQUODUBTCW-GOSISDBHSA-N
Physicochemical Property
logP
2.0762
Rotatable Bonds
10
Heavy Atom Count
32
Polar Areas
115.04
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
8
Complexity
32

"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: 44571723
ChEMBL ID
CHEMBL521443
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 = 54 nM
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