General Information of the Compound
Compound ID
CP0449571
Compound Name
CHEMBL2338259
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Formula
C23H33N3O2
Molecular Weight
383.536
Canonical SMILES
O[C@]12CC3CC(C1)[C@@H](C(C3)C2)N1CCCc2c(cnn2C2CCCCC2)C1=O
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InChI
InChI=1S/C23H33N3O2/c27-22-19-14-24-26(18-5-2-1-3-6-18)20(19)7-4-8-25(22)21-16-9-15-10-17(21)13-23(28,11-15)12-16/h14-18,21,28H,1-13H2/t15?,16?,17?,21-,23+
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InChIKey
PUMIFTMDJZBAFO-HAKKTOSCSA-N
Physicochemical Property
logP
3.7163
Rotatable Bonds
2
Heavy Atom Count
28
Polar Areas
58.36
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
28

"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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ChEMBL ID
CHEMBL2338259
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: PT01109, 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 = 24.3 nM
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