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Yorodumi- ChemComp-1N1: N-(2-CHLORO-6-METHYLPHENYL)-2-({6-[4-(2-HYDROXYETHYL)PIPERAZIN-1-... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 1N1 | ||
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Name | Name: Synonyms: Dasatinib Comment | medication*YM | |
-Chemical information
Composition | Formula: C22H26ClN7O2S / Number of atoms: 59 / Formula weight: 488.006 / Formal charge: 0 | ||||||||
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Others | Type: NON-POLYMER / PDB classification: HETAD / Three letter code: 1N1 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 2GQG | ||||||||
History |
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External links | UniChem / BindingDB / Brenda / ChEBI / ChEMBL / ChemicalBook / CompTox / DailyMed / DrugBank / GtoPharmacology / HMDB / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / ZINC / ChemSpider / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
ACDLabs 12.01 | CACTVS 3.370 | OpenEye OEToolkits 1.7.2 | |
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-SMILES CANONICAL
CACTVS 3.370 | OpenEye OEToolkits 1.7.2 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-SYSTEMATIC NAME
ACDLabs 12.01 | OpenEye OEToolkits 1.7.2 | |
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