General Information of the Compound
Compound ID
CP0324401
Compound Name
(1R,7S)-4-benzyl-1,3,10,10-tetramethyl-3,4-diazatricyclo[5.2.1.02,6]dec-2(6)-en-5-one
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Structure
Formula
C19H24N2O
Molecular Weight
296.414
Canonical SMILES
Cn1c2c([C@H]3CC[C@]2(C)C3(C)C)c(=O)n1Cc1ccccc1
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InChI
InChI=1S/C19H24N2O/c1-18(2)14-10-11-19(18,3)16-15(14)17(22)21(20(16)4)12-13-8-6-5-7-9-13/h5-9,14H,10-12H2,1-4H3/t14-,19+/m1/s1
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InChIKey
WFSAUDCOZFPDFP-KUHUBIRLSA-N
Physicochemical Property
logP
3.41
Rotatable Bonds
2
Heavy Atom Count
22
Polar Areas
26.93
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
22

"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: 57941400
ChEMBL ID
CHEMBL3291356
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 = 31 nM
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