General Information of the Compound
| Compound ID |
CP0919903
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| Compound Name |
7-((2R,6S)-1,7-dimethyl-3,5-dioxo-10-oxa-4-aza-tricyclo[5.2.1.02,6]dec-4-yl)-benzo[1,2,5]thiadiazole-4-carbonitrile
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| Structure |
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| Formula |
C17H14N4O3S
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| Molecular Weight |
354.391
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| Canonical SMILES |
CC12CCC(C)(O1)[C@H]1C(=O)N(c3ccc(C#N)c4nsnc34)C(=O)[C@H]12
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| InChI |
InChI=1S/C17H14N4O3S/c1-16-5-6-17(2,24-16)11-10(16)14(22)21(15(11)23)9-4-3-8(7-18)12-13(9)20-25-19-12/h3-4,10-11H,5-6H2,1-2H3/t10-,11+,16?,17?
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| InChIKey |
DFSKMMSUPHINPX-HLASGMPESA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound