General Information of the Compound
Compound ID
CP0532162
Compound Name
(3R)-6-cyclohexyl-N-hydroxy-3-[3-(1-methyl-1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]hexanamide
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Structure
Formula
C18H27N5O3
Molecular Weight
361.446
Canonical SMILES
Cn1ccnc1-c1noc(n1)[C@H](CCCC1CCCCC1)CC(=O)NO
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InChI
InChI=1S/C18H27N5O3/c1-23-11-10-19-17(23)16-20-18(26-22-16)14(12-15(24)21-25)9-5-8-13-6-3-2-4-7-13/h10-11,13-14,25H,2-9,12H2,1H3,(H,21,24)/t14-/m1/s1
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InChIKey
BVOQOECWRDHIQH-CQSZACIVSA-N
Physicochemical Property
logP
3.1998
Rotatable Bonds
8
Heavy Atom Count
26
Polar Areas
106.07
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
7
Complexity
26

"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: 9968907
SID: 14945974
ChEMBL ID
CHEMBL376116
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 = 92 nM
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