4-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-4-oxo-N-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-5-yl)butanamide
Formula:C20H20N6O5Cl2S
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
4-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-4-oxo-N-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-5-yl)butanamide is not a drug-like molecule.
| MolName | 4-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-4-oxo-N-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-5-yl)butanamide |
| MolecularFormula | C20H20N6O5Cl2S |
| Smiles | O=C(CCC(N(CC1)CCN1S(c(cc(cc1)Cl)c1Cl)(=O)=O)=O)Nc(cc1)nc(N2)c1NC2=O |
| InChI | InChI=1S/C20H20Cl2N6O5S/c21-12-1-2-13(22)15(11-12)34(32,33)28-9-7-27(8-10-28)18(30)6-5-17(29)24-16-4-3-14-19(25-16)26-20(31)23-14/h1-4,11H,5-10H2,(H3,23,24,25,26,29,31) |
| InChIK | UKKQHGTWUBHIEB-UHFFFAOYSA-N |
| TotalMolweight | 527.388 |
| Molweight | 527.388 |
| MonoisotopicMass | 526.059293 |
| CLogP | 1.969 |
| CLogS | -4.789 |
| H Acceptors | 11 |
| H Donors | 3 |
| TotalSurfaceArea | 354.99 |
| Relative PSA | 0.33846 |
| PolarSurfaceArea | 149.19 |
| Druglikeness | 5.8715 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58824 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 14 |
| Electronegative Atoms | 14 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 3 |
| Amides | 5 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 4-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-4-oxo-N-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-5-yl)butanamide | 2 - 4-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-4-oxo-N-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-5-yl)butanamide
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