Compound PP9
Identifiers
- Canonical SMILES:
Cc1c2[nH]c(cc3nc(cc4[nH]c(cc5nc(c2)c(C)c5C=C)c(C)c4C=C)c(C)c3CCC(O)=O)c1CCC(O)=O
- IUPAC name:
3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl)dipropanoic acid
- InChi:
InChI=1S/C34H34N4O4/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25/h7-8,13-16,36-37H,1-2,9-12H2,3-6H3,(H,39,40)(H,41,42)/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-
- InChiKey:
FEDYMSUPMFCVOD-UJJXFSCMSA-N
- SMARTS:
[#6]-[#6]1:[#6]2:[#7]:[#6](:[#6]:[#6]3:[#7]:[#6](:[#6]:[#6]4:[#7]:[#6](:[#6]:[#6]5:[#7]:[#6](:[#6]:2)-[#6](-[#6])=[#6]-5-[#6]=[#6]):[#6](-[#6]):[#6]:4-[#6]=[#6])-[#6](-[#6])=[#6]-3-[#6]-[#6]-[#6](-[#8])=[#8]):[#6]:1-[#6]-[#6]-[#6](-[#8])=[#8]
Chemistry rules
| Lipinski's RO5 | Veber | Pfizer's 3/75 |
|---|---|---|
External links
PP9
DB02285
RNA-SM complexes
| PDB code | Deposition date | Reference publication |
|---|---|---|
| 21cc | Dec. 7, 2025 | No publication |
Physicochemical filters
| Descriptor | Lipinski's RO5 | Veber | Pfizer's 3/75 | |
|---|---|---|---|---|
| Compliance | ||||
| MW | 562.26 g/mol | |||
| HBA | 4 | |||
| HBD | 4 | |||
| HBA + HBD | ||||
| AlogP | 7.50 | |||
| TPSA | 131.96 | |||
| RB | 8 |