General Information of the Compound
Compound ID
CP0311583
Compound Name
(R)-N-benzyl-5-(6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl)-1,2,4-oxadiazole-3-carboxamide
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Structure
Formula
C22H30N4O4
Molecular Weight
414.506
Canonical SMILES
ONC(=O)C[C@@H](CCCC1CCCCC1)c1nc(no1)C(=O)NCc1ccccc1
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InChI
InChI=1S/C22H30N4O4/c27-19(25-29)14-18(13-7-12-16-8-3-1-4-9-16)22-24-20(26-30-22)21(28)23-15-17-10-5-2-6-11-17/h2,5-6,10-11,16,18,29H,1,3-4,7-9,12-15H2,(H,23,28)(H,25,27)/t18-/m1/s1
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InChIKey
IXUAWIOCMPIPOM-GOSISDBHSA-N
Physicochemical Property
logP
3.7293
Rotatable Bonds
10
Heavy Atom Count
30
Polar Areas
117.35
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
6
Complexity
30

"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: 10136534
SID: 15127772
ChEMBL ID
CHEMBL480758
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 = 57 nM
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