N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine
Formula:C20H19N7O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine is a drug-like molecule.
| MolName | N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine |
| MolecularFormula | C20H19N7O |
| Smiles | C(COCC1)N1c1ccc(/C=N\Nc2nnc(c(cccc3)c3[nH]3)c3n2)cc1 |
| InChI | InChI=1S/C20H19N7O/c1-2-4-17-16(3-1)18-19(22-17)23-20(26-24-18)25-21-13-14-5-7-15(8-6-14)27-9-11-28-12-10-27/h1-8,13H,9-12H2,(H2,22,23,25,26) |
| InChIK | HMWRFHGAFXGFBV-UHFFFAOYSA-N |
| TotalMolweight | 373.419 |
| Molweight | 373.419 |
| MonoisotopicMass | 373.165108 |
| CLogP | 4.249 |
| CLogS | -4.834 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 286.13 |
| Relative PSA | 0.29155 |
| PolarSurfaceArea | 91.32 |
| Druglikeness | 3.4259 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 19 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Amines | 1 |
| Aromatic Amines | 1 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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1 - N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine | 2 - N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine
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