General Information of the Compound
Compound ID
CP0505532
Compound Name
(3R)-3-(3-{[(aminosulfonyl)amino]methyl}-1,2,4-oxadiazol-5-yl)-6-cyclohexyl-Nhydroxyhexanamide
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Structure
Formula
C15H27N5O5S
Molecular Weight
389.478
Canonical SMILES
NS(=O)(=O)NCc1noc(n1)[C@H](CCCC1CCCCC1)CC(=O)NO
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InChI
InChI=1S/C15H27N5O5S/c16-26(23,24)17-10-13-18-15(25-20-13)12(9-14(21)19-22)8-4-7-11-5-2-1-3-6-11/h11-12,17,22H,1-10H2,(H,19,21)(H2,16,23,24)/t12-/m1/s1
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InChIKey
VBHILZPBPNEPMX-GFCCVEGCSA-N
Physicochemical Property
logP
1.0924
Rotatable Bonds
10
Heavy Atom Count
26
Polar Areas
160.44
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
7
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: 10110893
SID: 15099555
ChEMBL ID
CHEMBL227048
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 = 98 nM
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