General Information of the Compound
Compound ID
CP0271312
Compound Name
Enzacamene
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Structure
Formula
C18H22O
Molecular Weight
254.373
Canonical SMILES
Cc1ccc(\C=C2/C3CCC(C)(C2=O)C3(C)C)cc1
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InChI
InChI=1S/C18H22O/c1-12-5-7-13(8-6-12)11-14-15-9-10-18(4,16(14)19)17(15,2)3/h5-8,11,15H,9-10H2,1-4H3/b14-11+
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InChIKey
HEOCBCNFKCOKBX-SDNWHVSQSA-N
CAS
36861-47-9
38102-62-4
84055-65-2
Physicochemical Property
logP
4.40362
Rotatable Bonds
1
Heavy Atom Count
19
Polar Areas
17.07
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
1
Complexity
19

"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: 6434217
SID: 15268632
ChEMBL ID
CHEMBL2104261
DrugBank ID
DB11219
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: PT01552, Nuclear receptor subfamily 1 group I member 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000514 DPX2 Homo sapiens (Human)  1
1
EC50 = 31600 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 EC50 = 5000 nM