General Information of the Compound
| Compound ID |
CP0946670
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| Compound Name |
(2R,6S)-4-(6-amino-benzothiazol-7-yl)-1,7-dimethyl-10-oxa-4-aza-tricyclo[5.2.1.02,6]decane-3,5-dione
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| Structure |
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| Formula |
C17H17N3O3S
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| Molecular Weight |
343.408
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| Canonical SMILES |
CC12CCC(C)(O1)[C@H]1C(=O)N(c3c(N)ccc4ncsc34)C(=O)[C@H]12
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| InChI |
InChI=1S/C17H17N3O3S/c1-16-5-6-17(2,23-16)11-10(16)14(21)20(15(11)22)12-8(18)3-4-9-13(12)24-7-19-9/h3-4,7,10-11H,5-6,18H2,1-2H3/t10-,11+,16?,17?
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| InChIKey |
WEVBOOVUWCNCML-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