General Information of the Compound
Compound ID
CP0380987
Compound Name
(2R,5R)-1,2-dibenzyl-5-methylpiperazine
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Structure
Formula
C19H24N2
Molecular Weight
280.415
Canonical SMILES
C[C@@H]1CN(Cc2ccccc2)[C@H](Cc2ccccc2)CN1
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InChI
InChI=1S/C19H24N2/c1-16-14-21(15-18-10-6-3-7-11-18)19(13-20-16)12-17-8-4-2-5-9-17/h2-11,16,19-20H,12-15H2,1H3/t16-,19-/m1/s1
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InChIKey
GCAUIWFSWOGENO-VQIMIIECSA-N
Physicochemical Property
logP
3.0916
Rotatable Bonds
4
Heavy Atom Count
21
Polar Areas
15.27
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: 73350451
ChEMBL ID
CHEMBL2385369
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: PT04580, Voltage-dependent L-type calcium channel subunit alpha-1C
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 10000 nM
   TI
   LI
   LO
   TS
Protein ID: PT02836, Voltage-dependent N-type calcium channel subunit alpha-1B
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 10000 nM
   TI
   LI
   LO
   TS