Cheminformatics — QSAR, Pharmacophore, De Novo & Toxicity Prediction
Chemryt Pick
8-methoxy-3-(quinolin-2-ylmethylideneamino)-5H-pyrimido[5,4-b]indol-4-one
- Mutagenic
- none
- Tumorigenic
- none
- Reproductive Effective
- none
- Irritant
- none
COc(cc1)cc2c1[nH]c(C1=O)c2N=CN1N=Cc1nc2ccccc2cc1
Searches PubChem, ChEMBL, DrugBank, BindingDB, and all other ChemrytIQ sources automatically.
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Chemryt Lab Tools
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ChemrytDSC
Predict differential scanning calorimetry (DSC) thermograms including melting points, glass transitions, and enthalpy values for pharmaceutical and material compounds.
ChemrytNMR
Predict ¹H and ¹³C NMR spectra from any SMILES or drawn structure. Visualise chemical shifts, coupling patterns, and multiplicity for research and structure verification.
ChemrytRX
Search similar reactions by structure, explore reagent sets, and interpret mechanistic steps. Full ML-powered retrosynthesis model coming soon.
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Chemical Products
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About Chemryt
Chemryt is a leader in the field of cheminformatics in India, offering a wide range of services to meet the demands of modern drug discovery. Cheminformatics is an innovative and powerful tool for managing, organizing, analyzing, and utilizing chemical information, making it a critical component of the drug discovery process through in-silico modeling and simulation.
Chemryt offers a comprehensive online database of molecular information that includes properties and 3D structures. Our directory also features a list of suppliers for these molecules and compounds, making it easy and cost-effective to obtain the chemicals you require. By consolidating all this information into a single, convenient location, Chemryt provides efficient and automated access to chemical information regardless of your location or the time of day.
Our team of experts is dedicated to providing the highest level of cheminformatics services, including molecular property prediction (NMR, UVIR, HPLC, GC) and chemical search. Whether you're a researcher, scientist, or industry professional, Chemryt is the partner you can rely on for all your cheminformatics needs.
CAS Number Search
| CAS Number | Mutagenic | Tumorigenic | Irritant | Reproductive | Druglikeness | Molecule Formula | ChemrytIQ |
|---|---|---|---|---|---|---|---|
| 1202781-19-8 | none | none | none | none | -4.2783 | C14H16NO3Br | ChemrytIQ |
| 1202781-18-7 | none | none | none | none | -41.459 | C14H24N2O5 | ChemrytIQ |
| 1202781-17-6 | high | none | none | none | -12.816 | C11H11N2O3F3 | ChemrytIQ |
| 1202781-15-4 | high | none | none | none | -12.555 | C14H13N2O2F3S | ChemrytIQ |
| 1202781-14-3 | none | none | none | none | -16.449 | C11H10N4O2BrF3 | ChemrytIQ |
| 1202781-13-2 | none | none | none | none | -45.245 | C13H21N2O4F3 | ChemrytIQ |