General Information of the Compound
Compound ID
CP0218947
Compound Name
(S)-N-Cyclohexyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-Nethylbenzamide
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Structure
Formula
C18H24F3NO2
Molecular Weight
343.389
Canonical SMILES
CCN(C1CCCCC1)C(=O)c1ccc(cc1)[C@](C)(O)C(F)(F)F
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InChI
InChI=1S/C18H24F3NO2/c1-3-22(15-7-5-4-6-8-15)16(23)13-9-11-14(12-10-13)17(2,24)18(19,20)21/h9-12,15,24H,3-8H2,1-2H3/t17-/m0/s1
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InChIKey
WLWHNXMTVCKXGI-KRWDZBQOSA-N
Physicochemical Property
logP
4.2512
Rotatable Bonds
4
Heavy Atom Count
24
Polar Areas
40.54
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
24

"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: 24895553
SID: 53779852
ChEMBL ID
CHEMBL461292
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)  2
1
IC50 = 1.3 nM
   TI
   LI
   LO
   TS
2
IC50 = 25 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 1.7 nM