Synonyms: CVT-3619 | GS-9667
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors
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8
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Hydrogen bond donors
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4
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Rotatable bonds
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6
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Topological polar surface area
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150.85
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Molecular weight
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461.15
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XLogP
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2.63
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No. Lipinski's rules broken
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0
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SMILES / InChI / InChIKey
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Canonical SMILES
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OC1C(O)C(OC1n1cnc2c1ncnc2NC1CCCC1O)CSc1ccccc1F
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Isomeric SMILES
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O[C@@H]1[C@H](O)[C@H](O[C@H]1n1cnc2c1ncnc2N[C@@H]1CCC[C@H]1O)CSc1ccccc1F
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InChI
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InChI=1S/C21H24FN5O4S/c22-11-4-1-2-7-15(11)32-8-14-17(29)18(30)21(31-14)27-10-25-16-19(23-9-24-20(16)27)26-12-5-3-6-13(12)28/h1-2,4,7,9-10,12-14,17-18,21,28-30H,3,5-6,8H2,(H,23,24,26)/t12-,13-,14-,17-,18-,21-/m1/s1
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InChI Key
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IZRXENCTXNMAMI-DIJFLQFKSA-N
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