General Information of the Compound
| Compound ID |
CP0890958
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| Compound Name |
(2S,3R,4R,5S,6R)-2-(4-chloro-3-(4-((7-nitrobenzo[c][1,2,5]oxadiazol-4-ylamino)methyl)benzyl)phenyl)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
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| Structure |
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| Formula |
C26H25ClN4O8
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| Molecular Weight |
556.959
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| Canonical SMILES |
O=[N+]([O-])c1ccc(NCc2ccc(Cc3cc([C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)ccc3Cl)cc2)c2nonc12
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| InChI |
InChI=1S/C26H25ClN4O8/c27-17-6-5-15(26-25(35)24(34)23(33)20(12-32)38-26)10-16(17)9-13-1-3-14(4-2-13)11-28-18-7-8-19(31(36)37)22-21(18)29-39-30-22/h1-8,10,20,23-26,28,32-35H,9,11-12H2/t20-,23-,24+,25-,26+/m1/s1
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| InChIKey |
PIWCPYZNGJEWKA-HVIQZWJMSA-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