General Information of the Compound
Compound ID
CP0528618
Compound Name
(3R)-6-cyclohexyl-N-hydroxy-3-[3-(2-pyridinylmethyl)-1,2,4-oxadiazol-5-yl]hexanamide
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Structure
Formula
C20H28N4O3
Molecular Weight
372.469
Canonical SMILES
ONC(=O)C[C@@H](CCCC1CCCCC1)c1nc(Cc2ccccn2)no1
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InChI
InChI=1S/C20H28N4O3/c25-19(23-26)13-16(10-6-9-15-7-2-1-3-8-15)20-22-18(24-27-20)14-17-11-4-5-12-21-17/h4-5,11-12,15-16,26H,1-3,6-10,13-14H2,(H,23,25)/t16-/m1/s1
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InChIKey
SQXNPCFBGUVNOP-MRXNPFEDSA-N
Physicochemical Property
logP
3.7851
Rotatable Bonds
9
Heavy Atom Count
27
Polar Areas
101.14
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
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: 10156141
SID: 15149264
ChEMBL ID
CHEMBL373953
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 = 6 nM
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