General Information of the Compound
Compound ID
CP0464611
Compound Name
(3R)-6-cyclohexyl-3-[3-({[(4-fluorophenyl)sulfonyl]amino}carbonyl)-1,2,4-oxadiazol-5-yl]-N-hydroxyhexanamide
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Structure
Formula
C21H27FN4O6S
Molecular Weight
482.534
Canonical SMILES
ONC(=O)C[C@@H](CCCC1CCCCC1)c1nc(no1)C(=O)NS(=O)(=O)c1ccc(F)cc1
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InChI
InChI=1S/C21H27FN4O6S/c22-16-9-11-17(12-10-16)33(30,31)26-20(28)19-23-21(32-25-19)15(13-18(27)24-29)8-4-7-14-5-2-1-3-6-14/h9-12,14-15,29H,1-8,13H2,(H,24,27)(H,26,28)/t15-/m1/s1
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InChIKey
NYCSKDJIESBLAN-OAHLLOKOSA-N
Physicochemical Property
logP
3.0571
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: 10184459
SID: 15179943
ChEMBL ID
CHEMBL226942
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 = 33 nM
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