General Information of the Compound
Compound ID
CP0277565
Compound Name
(2R)-N-(adamantan-2-yl)-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
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Structure
Formula
C17H25F3N2O
Molecular Weight
330.394
Canonical SMILES
FC(F)(F)CN1CCC[C@@H]1C(=O)NC1C2CC3CC(C2)CC1C3
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InChI
InChI=1S/C17H25F3N2O/c18-17(19,20)9-22-3-1-2-14(22)16(23)21-15-12-5-10-4-11(7-12)8-13(15)6-10/h10-15H,1-9H2,(H,21,23)/t10?,11?,12?,13?,14-,15?/m1/s1
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InChIKey
RKVCILKGLURRPT-DUTNFGBUSA-N
Physicochemical Property
logP
2.954
Rotatable Bonds
3
Heavy Atom Count
23
Polar Areas
32.34
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
23

"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: 46888803
ChEMBL ID
CHEMBL1097178
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 = 0.32 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 1 nM