General Information of the Compound
Compound ID
CP0141102
Compound Name
(4-amino-3,5-dichlorophenyl)((2R,6S)-2,6-dimethyl-4-(pyridin-2-yl)piperazin-1-yl)methanone
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Structure
Formula
C18H20Cl2N4O
Molecular Weight
379.291
Canonical SMILES
C[C@H]1CN(C[C@@H](C)N1C(=O)c1cc(Cl)c(N)c(Cl)c1)c1ccccn1
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InChI
InChI=1S/C18H20Cl2N4O/c1-11-9-23(16-5-3-4-6-22-16)10-12(2)24(11)18(25)13-7-14(19)17(21)15(20)8-13/h3-8,11-12H,9-10,21H2,1-2H3/t11-,12+
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InChIKey
REVBKPSDCXGBNR-TXEJJXNPSA-N
Physicochemical Property
logP
3.71
Rotatable Bonds
2
Heavy Atom Count
25
Polar Areas
62.46
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
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: 44420232
ChEMBL ID
CHEMBL223373
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 > 10000 nM
   TI
   LI
   LO
   TS