General Information of the Compound
| Compound ID |
CP0487852
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| Compound Name |
3-nitro-4-phenyl-1,2,5-oxadiazole 2-oxide
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| Structure |
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| Formula |
C8H5N3O4
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| Molecular Weight |
207.145
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| Canonical SMILES |
[O-]n1[o+]nc(c1[N+]([O-])=O)-c1ccccc1
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| InChI |
InChI=1S/C8H5N3O4/c12-10(13)8-7(9-15-11(8)14)6-4-2-1-3-5-6/h1-5H
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| InChIKey |
YCYGCMHATNZXJZ-UHFFFAOYSA-N
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| CAS |
76016-69-8
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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
Protein ID: PT01546, ATP-dependent translocase ABCB1
Protein ID: PT02516, Multidrug resistance-associated protein 1