2-[4-[(Z)-(2-amino-3,7-dicyano-4,6-dimethylcyclopenta[b]pyridin-5-ylidene)methyl]phenoxy]-N-phenylacetamide
Formula:C27H21N5O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
2-[4-[(Z)-(2-amino-3,7-dicyano-4,6-dimethylcyclopenta[b]pyridin-5-ylidene)methyl]phenoxy]-N-phenylacetamide is a drug-like molecule.
| MolName | 2-[4-[(Z)-(2-amino-3,7-dicyano-4,6-dimethylcyclopenta[b]pyridin-5-ylidene)methyl]phenoxy]-N-phenylacetamide |
| MolecularFormula | C27H21N5O2 |
| Smiles | CC(/C(/c1c(C)c(C#N)c(N)nc11)=C/c(cc2)ccc2OCC(Nc2ccccc2)=O)=C1C#N |
| InChI | InChI=1S/C27H21N5O2/c1-16-21(25-17(2)23(14-29)27(30)32-26(25)22(16)13-28)12-18-8-10-20(11-9-18)34-15-24(33)31-19-6-4-3-5-7-19/h3-12H,15H2,1-2H3,(H2,30,32)(H,31,33) |
| InChIK | BVCXABPXRFBHDS-UHFFFAOYSA-N |
| TotalMolweight | 447.497 |
| Molweight | 447.497 |
| MonoisotopicMass | 447.169525 |
| CLogP | 3.2005 |
| CLogS | -6.175 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 355.1 |
| Relative PSA | 0.24742 |
| PolarSurfaceArea | 124.82 |
| Druglikeness | -2.8022 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55882 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 2-[4-[(Z)-(2-amino-3,7-dicyano-4,6-dimethylcyclopenta[b]pyridin-5-ylidene)methyl]phenoxy]-N-phenylacetamide | 2 - 2-[4-[(Z)-(2-amino-3,7-dicyano-4,6-dimethylcyclopenta[b]pyridin-5-ylidene)methyl]phenoxy]-N-phenylacetamide
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