General Information of the Compound
Compound ID
CP0236512
Compound Name
(2R)-N-(adamantan-2-yl)-1-(propan-2-yl)pyrrolidine-2-carboxamide
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Structure
Formula
C18H30N2O
Molecular Weight
290.451
Canonical SMILES
CC(C)N1CCC[C@@H]1C(=O)NC1C2CC3CC(C2)CC1C3
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InChI
InChI=1S/C18H30N2O/c1-11(2)20-5-3-4-16(20)18(21)19-17-14-7-12-6-13(9-14)10-15(17)8-12/h11-17H,3-10H2,1-2H3,(H,19,21)/t12?,13?,14?,15?,16-,17?/m1/s1
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InChIKey
QKHSYRCSYFWCMW-OBYDGYHJSA-N
Physicochemical Property
logP
2.8001
Rotatable Bonds
3
Heavy Atom Count
21
Polar Areas
32.34
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
21

"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: 46888800
ChEMBL ID
CHEMBL1095033
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 = 3.5 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 1.6 nM