CID 776133
PubChem CID: 776133
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| Compound Synonyms | VASICINONE, (R)-3-hydroxy-2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-one, 119364-42-0, (-)-Vasicinone, l-Vasicinone, CHEMBL4218004, CID 776133, A1-06844 |
|---|---|
| Topological Polar Surface Area | 52.9 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 327.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (3R)-3-hydroxy-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 0.4 |
| Is Pains | False |
| Molecular Formula | C11H10N2O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SDIVYZXRQHWCKF-SECBINFHSA-N |
| Fcsp3 | 0.2727272727272727 |
| Rotatable Bond Count | 0.0 |
| Compound Name | CID 776133 |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 202.074 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 202.074 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 202.21 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.500553933333333 |
| Inchi | InChI=1S/C11H10N2O2/c14-9-5-6-13-10(9)12-8-4-2-1-3-7(8)11(13)15/h1-4,9,14H,5-6H2/t9-/m1/s1 |
| Smiles | C1CN2C(=NC3=CC=CC=C3C2=O)[C@@H]1O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Justicia Adhatoda (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Peganum Harmala (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Peganum Nigellastrum (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Sida Cordifolia (Plant) Rel Props:Source_db:cmaup_ingredients