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Yorodumi- ChemComp-98M: 6-{[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]amino}-1-[6-(2-hydr... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 98M |
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Name | Name: Synonyms: RAC-IV-099 |
-Chemical information
Composition | Formula: C27H31ClN8O2 / Number of atoms: 69 / Formula weight: 535.04 / Formal charge: 0 | ||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 98M / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5VD8 | ||||||
History |
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External links | UniChem / ChemSpider / PubChem / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
ACDLabs 12.01 | CACTVS 3.385 | OpenEye OEToolkits 2.0.6 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 2.0.6 | |
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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 2.0.6 | |
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-PDB entries
Showing all 1 items
PDB-5vd8:
Crystal structure of human WEE1 kinase domain in complex with RAC-IV-099, a MK1775 analogue