General Information of the Compound
Compound ID
CP0052401
Compound Name
(3R)-6-cyclohexyl-N-hydroxy-3-(3-{[(2-hydroxy-1,1-dimethylethyl)amino]methyl}-1,2,4-oxadiazol-5-yl)hexanamide
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Structure
Formula
C19H34N4O4
Molecular Weight
382.505
Canonical SMILES
CC(C)(CO)NCc1noc(n1)[C@H](CCCC1CCCCC1)CC(=O)NO
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InChI
InChI=1S/C19H34N4O4/c1-19(2,13-24)20-12-16-21-18(27-23-16)15(11-17(25)22-26)10-6-9-14-7-4-3-5-8-14/h14-15,20,24,26H,3-13H2,1-2H3,(H,22,25)/t15-/m1/s1
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InChIKey
AMIZSFRPEJZLFK-OAHLLOKOSA-N
Physicochemical Property
logP
2.6598
Rotatable Bonds
11
Heavy Atom Count
27
Polar Areas
120.51
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
7
Complexity
27

"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: 10293283
SID: 15299938
ChEMBL ID
CHEMBL229866
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 = 8 nM
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