General Information of the Compound
| Compound ID |
CP0415097
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| Compound Name |
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[7-[(3-iodophenyl)methylamino]-5-nitroimidazo[4,5-b]pyridin-3-yl]oxolane-3,4-diol
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| Structure |
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| Formula |
C18H18IN5O6
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| Molecular Weight |
527.275
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| Canonical SMILES |
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)cc(nc12)[N+]([O-])=O
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| InChI |
InChI=1S/C18H18IN5O6/c19-10-3-1-2-9(4-10)6-20-11-5-13(24(28)29)22-17-14(11)21-8-23(17)18-16(27)15(26)12(7-25)30-18/h1-5,8,12,15-16,18,25-27H,6-7H2,(H,20,22)/t12-,15-,16-,18-/m1/s1
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| InChIKey |
BMWATIVARSTKRP-HALQFCHDSA-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