General Information of the Compound
Compound ID
CP0385832
Compound Name
(2R)-1-(4-fluorophenoxy)-3-[4-(3-methoxyphenyl)piperazin-1-yl]propan-2-ol
    Show/Hide
Structure
Formula
C20H25FN2O3
Molecular Weight
360.429
Canonical SMILES
COc1cccc(c1)N1CCN(C[C@@H](O)COc2ccc(F)cc2)CC1
    Show/Hide
InChI
InChI=1S/C20H25FN2O3/c1-25-20-4-2-3-17(13-20)23-11-9-22(10-12-23)14-18(24)15-26-19-7-5-16(21)6-8-19/h2-8,13,18,24H,9-12,14-15H2,1H3/t18-/m1/s1
    Show/Hide
InChIKey
KZLPRWDZAHCVSA-GOSISDBHSA-N
Physicochemical Property
logP
2.3962
Rotatable Bonds
7
Heavy Atom Count
26
Polar Areas
45.17
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
26

"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: 66551569
SID: 152144254
ChEMBL ID
CHEMBL2334598
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: PT03095, Voltage-dependent T-type calcium channel subunit alpha-1G
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 12000 nM
   TI
   LI
   LO
   TS