General Information of the Compound
| Compound ID |
CP0917994
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| Compound Name |
(2R,6S)-4-(4-chloro-3-nitro-phenyl)-10-oxa-4-aza-tricyclo[5.2.1.02,6]decane-3,5-dione
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| Structure |
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| Formula |
C14H11ClN2O5
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| Molecular Weight |
322.704
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| Canonical SMILES |
O=C1[C@@H]2C3CCC(O3)[C@@H]2C(=O)N1c1ccc(Cl)c([N+](=O)[O-])c1
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| InChI |
InChI=1S/C14H11ClN2O5/c15-7-2-1-6(5-8(7)17(20)21)16-13(18)11-9-3-4-10(22-9)12(11)14(16)19/h1-2,5,9-12H,3-4H2/t9?,10?,11-,12+
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| InChIKey |
KPZMNMSYEODCQH-CAODYFQJSA-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