General Information of the Compound
Compound ID
CP0100208
Compound Name
EPITESTOSTERONE
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Structure
Formula
C19H28O2
Molecular Weight
288.431
Canonical SMILES
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@H]2O
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InChI
InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-17,21H,3-10H2,1-2H3/t14-,15-,16-,17+,18-,19-/m0/s1
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InChIKey
MUMGGOZAMZWBJJ-KZYORJDKSA-N
CAS
481-30-1
Physicochemical Property
logP
3.8792
Rotatable Bonds
0
Heavy Atom Count
21
Polar Areas
37.3
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: 10204
SID: 14849071
ChEMBL ID
CHEMBL196228
DrugBank ID
DB07768
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: PT06470, Olfactory receptor 51E2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000966 Hana3A Homo sapiens (Human)  1
1
EC50 = 0.69 nM
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