General Information of the Compound
Compound ID
CP0444377
Compound Name
(3R)-6-cyclohexyl-N-hydroxy-3-{3-[(4-hydroxy-1-piperidinyl)methyl]-1,2,4-oxadiazol-5-yl}hexanamide
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Structure
Formula
C20H34N4O4
Molecular Weight
394.516
Canonical SMILES
ONC(=O)C[C@@H](CCCC1CCCCC1)c1nc(CN2CCC(O)CC2)no1
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InChI
InChI=1S/C20H34N4O4/c25-17-9-11-24(12-10-17)14-18-21-20(28-23-18)16(13-19(26)22-27)8-4-7-15-5-2-1-3-6-15/h15-17,25,27H,1-14H2,(H,22,26)/t16-/m1/s1
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InChIKey
CNCCOKWVHLGWLA-MRXNPFEDSA-N
Physicochemical Property
logP
2.756
Rotatable Bonds
9
Heavy Atom Count
28
Polar Areas
111.72
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
7
Complexity
28

"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: 10294045
SID: 15300708
ChEMBL ID
CHEMBL390931
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 = 13 nM
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