General Information of the Compound
| Compound ID |
CP0156773
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| Compound Name |
(1R,13R,14S,15R)-7-(7-nitro-3,4-dihydro-1H-isoquinolin-2-yl)-11,16-dioxa-2,4,6,9-tetrazatetracyclo[11.2.1.02,10.03,8]hexadeca-3(8),4,6,9-tetraene-14,15-diol
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| Structure |
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| Formula |
C19H18N6O6
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| Molecular Weight |
426.389
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| Canonical SMILES |
O[C@@H]1[C@H]2COc3nc4c(ncnc4n3[C@H](O2)[C@@H]1O)N1CCc2ccc(cc2C1)[N+]([O-])=O
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| InChI |
InChI=1S/C19H18N6O6/c26-14-12-7-30-19-22-13-16(20-8-21-17(13)24(19)18(31-12)15(14)27)23-4-3-9-1-2-11(25(28)29)5-10(9)6-23/h1-2,5,8,12,14-15,18,26-27H,3-4,6-7H2/t12-,14-,15-,18-/m1/s1
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| InChIKey |
QFHZJEJEAXNWKZ-SCFUHWHPSA-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