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Yorodumi- ChemComp-SM9: N-(2-ethoxyethyl)-N-{(2S)-2-hydroxy-3-[(5R)-2-(quinazolin-4-yl)-2... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: SM9 |
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Name | Name: |
-Chemical information
Composition | Formula: C31H43N5O4S / Number of atoms: 84 / Formula weight: 581.769 / Formal charge: 0 | ||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: SM9 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3QKM | ||||||
History |
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External links | UniChem / PubChem / 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 1.7.0 | |
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-SMILES CANONICAL
CACTVS 3.370 | OpenEye OEToolkits 1.7.0 | |
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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 1.7.0 | |
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-PDB entries
Showing all 1 items
PDB-3qkm:
Spirocyclic sulfonamides as AKT inhibitors