General Information of the Compound
Compound ID
CP0329409
Compound Name
(R)-5-(6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl)-N-(pyridin-2-ylmethyl)-1,2,4-oxadiazole-3-carboxamide
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Structure
Formula
C21H29N5O4
Molecular Weight
415.494
Canonical SMILES
ONC(=O)C[C@@H](CCCC1CCCCC1)c1nc(no1)C(=O)NCc1ccccn1
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InChI
InChI=1S/C21H29N5O4/c27-18(25-29)13-16(10-6-9-15-7-2-1-3-8-15)21-24-19(26-30-21)20(28)23-14-17-11-4-5-12-22-17/h4-5,11-12,15-16,29H,1-3,6-10,13-14H2,(H,23,28)(H,25,27)/t16-/m1/s1
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InChIKey
QYMZESBXBCDLLC-MRXNPFEDSA-N
Physicochemical Property
logP
3.1243
Rotatable Bonds
10
Heavy Atom Count
30
Polar Areas
130.24
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
7
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: 10273315
SID: 15278296
ChEMBL ID
CHEMBL518467
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 = 37 nM
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