General Information of the Compound
Compound ID
CP0392758
Compound Name
3,5-dichloro-4-[(4R,5S)-4-(2-chloro-4-hydroxyphenyl)-2-methyl-4,5-dihydro-1H-imidazol-5-yl]phenol
    Show/Hide
Structure
Formula
C16H13Cl3N2O2
Molecular Weight
371.651
Canonical SMILES
CC1=N[C@H]([C@H](N1)c1ccc(O)cc1Cl)c1c(Cl)cc(O)cc1Cl
    Show/Hide
InChI
InChI=1S/C16H13Cl3N2O2/c1-7-20-15(10-3-2-8(22)4-11(10)17)16(21-7)14-12(18)5-9(23)6-13(14)19/h2-6,15-16,22-23H,1H3,(H,20,21)/t15-,16+/m1/s1
    Show/Hide
InChIKey
JTFLLSUTWFWHFE-CVEARBPZSA-N
Physicochemical Property
logP
4.862
Rotatable Bonds
2
Heavy Atom Count
23
Polar Areas
64.85
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
4
Complexity
23

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 11326213
SID: 16416232
ChEMBL ID
CHEMBL366636
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: PT00886, Estrogen receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000644 MCF-7-2a Homo sapiens (Human)  1
1
EC50 = 5000 nM
   TI
   LI
   LO
   TS