General Information of the Compound
Compound ID
CP0052399
Compound Name
(3R)-6-cyclohexyl-N-hydroxy-3-(3-{[(methylsulfonyl)amino]-methyl}-1,2,4-oxadiazol-5-yl)hexanamide
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Structure
Formula
C16H28N4O5S
Molecular Weight
388.49
Canonical SMILES
CS(=O)(=O)NCc1noc(n1)[C@H](CCCC1CCCCC1)CC(=O)NO
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InChI
InChI=1S/C16H28N4O5S/c1-26(23,24)17-11-14-18-16(25-20-14)13(10-15(21)19-22)9-5-8-12-6-3-2-4-7-12/h12-13,17,22H,2-11H2,1H3,(H,19,21)/t13-/m1/s1
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InChIKey
NEGPFWDWNNSJRQ-CYBMUJFWSA-N
Physicochemical Property
logP
1.8485
Rotatable Bonds
10
Heavy Atom Count
26
Polar Areas
134.42
Hydrogen Bond Donor Count
3
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: 10271604
SID: 15276539
ChEMBL ID
CHEMBL389020
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 = 11 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 11 nM