General Information of the Compound
Compound ID
CP0521462
Compound Name
(R)-2-(6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl)-N,N,5-trimethyloxazole-4-carboxamide
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Structure
Formula
C19H31N3O4
Molecular Weight
365.474
Canonical SMILES
CN(C)C(=O)c1nc(oc1C)[C@H](CCCC1CCCCC1)CC(=O)NO
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InChI
InChI=1S/C19H31N3O4/c1-13-17(19(24)22(2)3)20-18(26-13)15(12-16(23)21-25)11-7-10-14-8-5-4-6-9-14/h14-15,25H,4-12H2,1-3H3,(H,21,23)/t15-/m1/s1
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InChIKey
RZJNBRSBAGXJNV-OAHLLOKOSA-N
Physicochemical Property
logP
3.41452
Rotatable Bonds
8
Heavy Atom Count
26
Polar Areas
95.67
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
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: 10270207
SID: 15275106
ChEMBL ID
CHEMBL482327
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 = 17 nM
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