General Information of the Compound
Compound ID
CP0894010
Compound Name
1-[4-(9H-Fluoren-9-yl)-piperazin-1-yl]-3,3-diphenyl-propan-1-one
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Structure
Formula
C32H30N2O
Molecular Weight
458.605
Canonical SMILES
O=C(CC(c1ccccc1)c1ccccc1)N1CCN(C2c3ccccc3-c3ccccc32)CC1
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InChI
InChI=1S/C32H30N2O/c35-31(23-30(24-11-3-1-4-12-24)25-13-5-2-6-14-25)33-19-21-34(22-20-33)32-28-17-9-7-15-26(28)27-16-8-10-18-29(27)32/h1-18,30,32H,19-23H2
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InChIKey
SGOBOOGKVDCWAY-UHFFFAOYSA-N
Physicochemical Property
logP
6.1228
Rotatable Bonds
5
Heavy Atom Count
35
Polar Areas
23.55
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Complexity
35

"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: 10456867
SID: 15478682
ChEMBL ID
CHEMBL3925602
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 = 371 nM
   TI
   LI
   LO
   TS