(8R)-6-[(Z)-pyridin-4-ylmethylideneamino]-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione
Formula:C20H17N5O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(8R)-6-[(Z)-pyridin-4-ylmethylideneamino]-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione is a drug-like molecule.
| MolName | (8R)-6-[(Z)-pyridin-4-ylmethylideneamino]-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione |
| MolecularFormula | C20H17N5O2 |
| Smiles | O=C(CN1/N=C\c2ccncc2)N(Cc2c(C3)c(cccc4)c4[nH]2)[C@H]3C1=O |
| InChI | InChI=1S/C20H17N5O2/c26-19-12-25(22-10-13-5-7-21-8-6-13)20(27)18-9-15-14-3-1-2-4-16(14)23-17(15)11-24(18)19/h1-8,10,18,23H,9,11-12H2/t18-/m1/s1 |
| InChIK | CEPTVMAHOYOPEI-GOSISDBHSA-N |
| TotalMolweight | 359.388 |
| Molweight | 359.388 |
| MonoisotopicMass | 359.138225 |
| CLogP | 0.8136 |
| CLogS | -2.801 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 263.59 |
| Relative PSA | 0.26424 |
| PolarSurfaceArea | 81.66 |
| Druglikeness | 7.5104 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 2 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - (8R)-6-[(Z)-pyridin-4-ylmethylideneamino]-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione | 2 - (8R)-6-[(Z)-pyridin-4-ylmethylideneamino]-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione
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