General Information of the Compound
Compound ID
CP0051767
Compound Name
1-((2R,6R)-1-(4-amino-3,5-dichlorobenzoyl)-2,6-dimethylpiperidin-4-yl)imidazolidin-2-one
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Structure
Formula
C17H22Cl2N4O2
Molecular Weight
385.295
Canonical SMILES
C[C@@H]1CC(C[C@@H](C)N1C(=O)c1cc(Cl)c(N)c(Cl)c1)N1CCNC1=O
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InChI
InChI=1S/C17H22Cl2N4O2/c1-9-5-12(22-4-3-21-17(22)25)6-10(2)23(9)16(24)11-7-13(18)15(20)14(19)8-11/h7-10,12H,3-6,20H2,1-2H3,(H,21,25)/t9-,10-/m1/s1
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InChIKey
NRUOIYWARKEXLI-NXEZZACHSA-N
Physicochemical Property
logP
2.9824
Rotatable Bonds
2
Heavy Atom Count
25
Polar Areas
78.67
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
25

"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: 44420247
ChEMBL ID
CHEMBL374283
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: PT01107, 11-beta-hydroxysteroid dehydrogenase 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 76 nM
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