General Information of the Compound
| Compound ID |
CP0854734
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| Compound Name |
(2R,6S)-4-(5-bromo-4-nitro-naphthalen-1-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 |
C20H17BrN2O5
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| Molecular Weight |
445.269
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| Canonical SMILES |
CC12CCC(C)(O1)[C@H]1C(=O)N(c3ccc([N+](=O)[O-])c4c(Br)cccc34)C(=O)[C@H]12
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| InChI |
InChI=1S/C20H17BrN2O5/c1-19-8-9-20(2,28-19)16-15(19)17(24)22(18(16)25)12-6-7-13(23(26)27)14-10(12)4-3-5-11(14)21/h3-7,15-16H,8-9H2,1-2H3/t15-,16+,19?,20?
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| InChIKey |
GHDSEDNFPONYAJ-BANKROOTSA-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