2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-[2-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)phenyl]acetamide
Formula:C50H34N7O3F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-[2-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)phenyl]acetamide is not a drug-like molecule.
| MolName | 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-[2-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)phenyl]acetamide |
| MolecularFormula | C50H34N7O3F |
| Smiles | O=C(CN(C=C(C(N1)=O)F)C1=O)Nc(cccc1)c1/C(/C(C=C1)=N/C1=C(\c1ccc2[nH]1)/c1ccccc1)=C(\C=C1)/N=C1/C(/c1ccccc1)=C(/C=C1)\N/C1=C2/c1ccccc1 |
| InChI | InChI=1S/C50H34FN7O3/c51-34-28-58(50(61)57-49(34)60)29-44(59)56-35-19-11-10-18-33(35)48-42-26-24-40(54-42)46(31-14-6-2-7-15-31)38-22-20-36(52-38)45(30-12-4-1-5-13-30)37-21-23-39(53-37)47(32-16-8-3-9-17-32)41-25-27-43(48)55-41/h1-28,52-53H,29H2,(H,56,59)(H |
| InChIK | QYFMDNHKAYXXLU-UHFFFAOYSA-N |
| TotalMolweight | 799.864 |
| Molweight | 799.864 |
| MonoisotopicMass | 799.270716 |
| CLogP | 4.3674 |
| CLogS | -9.726 |
| H Acceptors | 10 |
| H Donors | 4 |
| TotalSurfaceArea | 594.24 |
| Relative PSA | 0.19194 |
| PolarSurfaceArea | 131.05 |
| Druglikeness | -0.89893 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.37705 |
| Fragments | 1 |
| Non HAtoms | 61 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 7 |
| Rings Closures | 10 |
| Small Rings | 9 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 29 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| Amides | 3 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-[2-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)phenyl]acetamide | 2 - 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-[2-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)phenyl]acetamide
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