General Information of the Compound
Compound ID
CP0554272
Compound Name
(3R)-6-cyclohexyl-N-hydroxy-3-[3-({[(4-methylphenyl)sulfonyl]amino}-carbonyl)-1,2,4-oxadiazol-5-yl]hexanamide
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Structure
Formula
C22H30N4O6S
Molecular Weight
478.571
Canonical SMILES
Cc1ccc(cc1)S(=O)(=O)NC(=O)c1noc(n1)[C@H](CCCC1CCCCC1)CC(=O)NO
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InChI
InChI=1S/C22H30N4O6S/c1-15-10-12-18(13-11-15)33(30,31)26-21(28)20-23-22(32-25-20)17(14-19(27)24-29)9-5-8-16-6-3-2-4-7-16/h10-13,16-17,29H,2-9,14H2,1H3,(H,24,27)(H,26,28)/t17-/m1/s1
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InChIKey
WIWZOZNZTCSMEA-QGZVFWFLSA-N
Physicochemical Property
logP
3.22642
Rotatable Bonds
10
Heavy Atom Count
33
Polar Areas
151.49
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
8
Complexity
33

"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: 10205950
SID: 15204086
ChEMBL ID
CHEMBL226889
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 = 14 nM
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