(E)-3-(1H-indol-3-yl)-1-[2-(triazolo[4,5-b]pyridin-3-yloxymethyl)morpholin-4-yl]prop-2-en-1-one
Formula:C21H20N6O3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(E)-3-(1H-indol-3-yl)-1-[2-(triazolo[4,5-b]pyridin-3-yloxymethyl)morpholin-4-yl]prop-2-en-1-one is a drug-like molecule.
| MolName | (E)-3-(1H-indol-3-yl)-1-[2-(triazolo[4,5-b]pyridin-3-yloxymethyl)morpholin-4-yl]prop-2-en-1-one |
| MolecularFormula | C21H20N6O3 |
| Smiles | O=C(/C=C/c1c[nH]c2c1cccc2)N1CC(COn2nnc3cccnc23)OCC1 |
| InChI | InChI=1S/C21H20N6O3/c28-20(8-7-15-12-23-18-5-2-1-4-17(15)18)26-10-11-29-16(13-26)14-30-27-21-19(24-25-27)6-3-9-22-21/h1-9,12,16,23H,10-11,13-14H2/t16-/m1/s1 |
| InChIK | NVEOOEMKEOCLKG-MRXNPFEDSA-N |
| TotalMolweight | 404.429 |
| Molweight | 404.429 |
| MonoisotopicMass | 404.159689 |
| CLogP | 2.1275 |
| CLogS | -4.619 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 305.86 |
| Relative PSA | 0.29543 |
| PolarSurfaceArea | 98.16 |
| Druglikeness | -0.55907 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 7 |
| Amides | 1 |
| Aromatic Nitrogens | 5 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (E)-3-(1H-indol-3-yl)-1-[2-(triazolo[4,5-b]pyridin-3-yloxymethyl)morpholin-4-yl]prop-2-en-1-one | 2 - (E)-3-(1H-indol-3-yl)-1-[2-(triazolo[4,5-b]pyridin-3-yloxymethyl)morpholin-4-yl]prop-2-en-1-one
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