General Information of the Compound
Compound ID
CP0427387
Compound Name
(3R)-6-cyclohexyl-N-hydroxy-3-{3-[6-(4-methyl-1-piperazinyl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl}hexanamide
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Structure
Formula
C19H33N5O3
Molecular Weight
379.505
Canonical SMILES
CN1CCNC(C1)c1noc(n1)[C@H](CCCC1CCCCC1)CC(=O)NO
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InChI
InChI=1S/C19H33N5O3/c1-24-11-10-20-16(13-24)18-21-19(27-23-18)15(12-17(25)22-26)9-5-8-14-6-3-2-4-7-14/h14-16,20,26H,2-13H2,1H3,(H,22,25)/t15-,16?/m1/s1
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InChIKey
OYGIXRRMKPMRPE-AAFJCEBUSA-N
Physicochemical Property
logP
2.3754
Rotatable Bonds
8
Heavy Atom Count
27
Polar Areas
103.52
Hydrogen Bond Donor Count
3
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: 44425139
ChEMBL ID
CHEMBL226957
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 = 8 nM
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