General Information of the Compound
Compound ID
CP0274383
Compound Name
(R)-5-(6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl)-N-propyl-1,2,4-oxadiazole-3-carboxamide
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Structure
Formula
C18H30N4O4
Molecular Weight
366.462
Canonical SMILES
CCCNC(=O)c1noc(n1)[C@H](CCCC1CCCCC1)CC(=O)NO
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InChI
InChI=1S/C18H30N4O4/c1-2-11-19-17(24)16-20-18(26-22-16)14(12-15(23)21-25)10-6-9-13-7-4-3-5-8-13/h13-14,25H,2-12H2,1H3,(H,19,24)(H,21,23)/t14-/m1/s1
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InChIKey
IALSBWBRIDYNGC-CQSZACIVSA-N
Physicochemical Property
logP
2.9391
Rotatable Bonds
10
Heavy Atom Count
26
Polar Areas
117.35
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
6
Complexity
26

"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: 10270281
SID: 15275181
ChEMBL ID
CHEMBL481712
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 = 32 nM
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