1-[(4-chlorophenyl)(phenyl)methyl]-4-methylpiperazine
AlkaPlorer ID: AK071824
Synonym: None
IUPAC Name: 1-[(R)-(4-chlorophenyl)-phenylmethyl]-4-methylpiperazine
Structure
SMILES: CN1CCN([C@H](C2=CC=CC=C2)C2=CC=C(Cl)C=C2)CC1
InChI: InChI=1S/C18H21ClN2/c1-20-11-13-21(14-12-20)18(15-5-3-2-4-6-15)16-7-9-17(19)10-8-16/h2-10,18H,11-14H2,1H3/t18-/m1/s1
InChIKey: WFNAKBGANONZEQ-GOSISDBHSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 300.8330000000001
TPSA？: 6.48
MolLogP？: 3.6768000000000014
Number of H-Donors: 0
Number of H-Acceptors: 2
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Hepacivirus hominis | Hepatitis C virus | EC50 | 20.0 | nM | 10.1021/acs.jmedchem.5b00752 |
| None | ADMET | CC50 | 37500.0 | nM | 10.1021/acs.jmedchem.5b00752 |
| None | Unchecked | Ratio CC50/EC50 | 1875.0 | None | 10.1021/acs.jmedchem.5b00752 |