General Information of the Compound
Compound ID
CP0509507
Compound Name
(3R)-6-cyclohexyl-N-hydroxy-3-(3-{[(isopropylsulfonyl)amino]methyl}-1,2,4-oxadiazol-5-yl)hexanamide
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Structure
Formula
C18H32N4O5S
Molecular Weight
416.544
Canonical SMILES
CC(C)S(=O)(=O)NCc1noc(n1)[C@H](CCCC1CCCCC1)CC(=O)NO
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InChI
InChI=1S/C18H32N4O5S/c1-13(2)28(25,26)19-12-16-20-18(27-22-16)15(11-17(23)21-24)10-6-9-14-7-4-3-5-8-14/h13-15,19,24H,3-12H2,1-2H3,(H,21,23)/t15-/m1/s1
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InChIKey
VBKCQLLINZTLKE-OAHLLOKOSA-N
Physicochemical Property
logP
2.6271
Rotatable Bonds
11
Heavy Atom Count
28
Polar Areas
134.42
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
7
Complexity
28

"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: 10112623
SID: 15101315
ChEMBL ID
CHEMBL427289
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 = 21 nM
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