Strictanol
PubChem CID: 12314913
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| Compound Synonyms | strictanol, (4S,15R)-15-ethyl-1,11-diazatetracyclo(13.3.1.04,12.05,10)nonadeca-5,7,9,11-tetraen-4-ol, (4S,15R)-15-ethyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-5,7,9,11-tetraen-4-ol, 109063-87-8 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 35.8 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CC2CCC3CC4CCCCC4C3CCC(C1)C2 |
| Np Classifier Class | Aspidosperma type |
| Deep Smiles | CC[C@]CCCNC6)CC[C@]C=Ncc5cccc6)))))))CC%11)))O |
| Heavy Atom Count | 22.0 |
| Classyfire Class | Indoles and derivatives |
| Scaffold Graph Node Level | C1CCC2C(C1)NC1CCC3CCCN(CCC12)C3 |
| Classyfire Subclass | Indoles |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 462.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (4S,15R)-15-ethyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-5,7,9,11-tetraen-4-ol |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 2.6 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C19H26N2O |
| Scaffold Graph Node Bond Level | c1ccc2c(c1)N=C1CCC3CCCN(CCC12)C3 |
| Inchi Key | QNNPSMFAKZAUMA-MOPGFXCFSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | strictanol |
| Esol Class | Soluble |
| Functional Groups | CN(C)C, CO, cN=C(C)C |
| Compound Name | Strictanol |
| Exact Mass | 298.205 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 298.205 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 298.4 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C19H26N2O/c1-2-18-9-5-12-21(14-18)13-11-19(22)15-6-3-4-7-16(15)20-17(19)8-10-18/h3-4,6-7,22H,2,5,8-14H2,1H3/t18-,19+/m1/s1 |
| Smiles | CC[C@]12CCCN(C1)CC[C@]3(C(=NC4=CC=CC=C43)CC2)O |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Tryptophan alkaloids |
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