Compound PMZ
Identifiers
- Canonical SMILES:
CN(C)CCCN1c2ccccc2Sc3ccc(cc13)C(C)=O
- IUPAC name:
1-{10-[3-(dimethylamino)propyl]-10H-phenothiazin-2-yl}ethanone - InChi:
InChI=1S/C19H22N2OS/c1-14(22)15-9-10-19-17(13-15)21(12-6-11-20(2)3)16-7-4-5-8-18(16)23-19/h4-5,7-10,13H,6,11-12H2,1-3H3
- InChiKey:
NOSIYYJFMPDDSA-UHFFFAOYSA-N
Chemistry rules
| Lipinski's RO5 | Veber | Pfizer's 3/75 |
|---|---|---|
External links
6077
CHEMBL39560
DB01614
RNA-SM complexes
| PDB code | Deposition date | Reference publication |
|---|---|---|
| 1lvj | May 28, 2002 | Du Zhihua, Lind Kenneth E, James Thomas L. . Structure of TAR RNA Complexed with a Tat-TAR Interaction Nanomolar Inhibitor that Was Identified by Computational Screening Chemistry & Biology |
Physicochemical filters
| Descriptor | Lipinski's RO5 | Veber | Pfizer's 3/75 | |
|---|---|---|---|---|
| Compliance | ||||
| MW | 326.15 g/mol | |||
| HBA | 4 | |||
| HBD | 0 | |||
| HBA + HBD | ||||
| AlogP | 4.44 | |||
| TPSA | 23.55 | |||
| RB | 5 |