General Information of the Compound
Compound ID
CP0444378
Compound Name
(3R)-6-cyclohexyl-N-hydroxy-3-(3-{6-[(methylsulfonyl)amino]-3-pyridinyl}-1,2,4-oxadiazol-5-yl)hexanamide
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Structure
Formula
C15H26N4O5S
Molecular Weight
374.463
Canonical SMILES
CS(=O)(=O)Nc1noc(n1)[C@H](CCCC1CCCCC1)CC(=O)NO
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InChI
InChI=1S/C15H26N4O5S/c1-25(22,23)19-15-16-14(24-18-15)12(10-13(20)17-21)9-5-8-11-6-3-2-4-7-11/h11-12,21H,2-10H2,1H3,(H,17,20)(H,18,19)/t12-/m1/s1
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InChIKey
ATHWVYVBSCNKFI-GFCCVEGCSA-N
Physicochemical Property
logP
2.1708
Rotatable Bonds
9
Heavy Atom Count
25
Polar Areas
134.42
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
7
Complexity
25

"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: 44425140
ChEMBL ID
CHEMBL226958
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 = 27 nM
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