Aldisine
PubChem CID: 3085877
Connections displayed (default: 10).
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| Compound Synonyms | 72908-87-3, Aldisin, 6,7-dihydropyrrolo[2,3-c]azepine-4,8(1H,5H)-dione, Aldisine, 6,7-Dihydro-1H,5H-pyrrolo[2,3-c]azepine-4,8-dione, 1,5,6,7-tetrahydropyrrolo[2,3-c]azepine-4,8-dione, TDF8482E6R, CHEMBL357047, DTXSID40223211, Pyrrolo(2,3-c)azepine-4,8(1H,5H)-dione, 6,7-dihydro-, Pyrrolo[2,3-c]azepine-4,8(1H,5H)-dione, 6,7-dihydro-, 6,7-DIHYDROPYRROLO(2,3-C)AZEPINE-4,8(1H,5H)-DIONE, 1,5,6,7-TETRAHYDROPYRROLO(2,3-C)AZEPINE-4,8-DIONE, MFCD08166501, UNII-TDF8482E6R, SCHEMBL7844916, 1H,4H,5H,6H,7H,8H-pyrrolo[2,3-c]azepine-4,8-dione, DTXCID40145702, AAPGLCCSVSGLFH-UHFFFAOYSA-N, XCA90887, BDBM50108777, AKOS006286699, DS-4871, DB-026978, CS-0187182, C76318, D50114, EN300-1228837, SR-00000001856, SR-00000001856-1, 6,7-dihydropyrrolo[2,3-c]azepin-4,8(1H, 5H)dione, 1H,5H,6H,7H-PYRROLO[2,3-C]AZEPINE-4,8-DIONE, 6,7-dihydropyrrolo[2,3-c]azepine-4,8(1h,5h), -dione, Z1198176330 |
|---|---|
| Topological Polar Surface Area | 62.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 227.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | Q02750, P28482 |
| Iupac Name | 1,5,6,7-tetrahydropyrrolo[2,3-c]azepine-4,8-dione |
| Prediction Hob | 1.0 |
| Target Id | NPT491 |
| Xlogp | -0.2 |
| Molecular Formula | C8H8N2O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | AAPGLCCSVSGLFH-UHFFFAOYSA-N |
| Fcsp3 | 0.25 |
| Logs | -2.371 |
| Rotatable Bond Count | 0.0 |
| Logd | 0.748 |
| Compound Name | Aldisine |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 164.059 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 164.059 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 164.16 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.0401501333333332 |
| Inchi | InChI=1S/C8H8N2O2/c11-6-2-4-10-8(12)7-5(6)1-3-9-7/h1,3,9H,2,4H2,(H,10,12) |
| Smiles | C1CNC(=O)C2=C(C1=O)C=CN2 |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Echinocystis Fabacea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Vernonia Arctioides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all