General Information of the Compound
Compound ID
CP0554275
Compound Name
(3R)-6-cyclohexyl-N-hydroxy-3-(3-{2-[(methylsulfonyl)amino]ethyl}-1,2,4-oxadiazol-5-yl)hexanamide
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Structure
Formula
C18H33N5O5S
Molecular Weight
431.559
Canonical SMILES
CS(=O)(=O)NCCNCc1noc(n1)[C@H](CCCC1CCCCC1)CC(=O)NO
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InChI
InChI=1S/C18H33N5O5S/c1-29(26,27)20-11-10-19-13-16-21-18(28-23-16)15(12-17(24)22-25)9-5-8-14-6-3-2-4-7-14/h14-15,19-20,25H,2-13H2,1H3,(H,22,24)/t15-/m1/s1
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InChIKey
BHXASXZDZWDXAM-OAHLLOKOSA-N
Physicochemical Property
logP
1.4381
Rotatable Bonds
13
Heavy Atom Count
29
Polar Areas
146.45
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
8
Complexity
29

"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: 44425141
ChEMBL ID
CHEMBL427430
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 = 20 nM
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