General Information of the Compound
| Compound ID |
CP0104531
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| Compound Name |
5-Nitroisatin
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| Synonyms |
1H-Indole-2,3-dione, 5-nitro-
2,3-Dihydro-5-nitroindole-2,3-dione
5-Nitro isatin
5-Nitro-1H-indole-2,3-dione
5-Nitroindole-2,3-dione
5-Nitroindoline-2,3-dione
5-Nitroisatin
5-Nitroisatin, 97%
5-nitro-2,3-dihydro-1H-indole-2,3-dione
5-nitroisatine
611-09-6
BRN 0180223
CCRIS 4031
CHEMBL118305
EINECS 210-252-5
INDOLE-2,3-DIONE, 5-NITRO-
Indole-2, 5-nitro
Isatin analog 3
Isatin, 5-nitro-
Isatin, 5-nitro- (6CI)
J4J633881Z
N-Nitroisatin
NSC 525798
NSC525798
PubChem15514
UNII-J4J633881Z
UNMYHYODJHKLOC-UHFFFAOYSA-N
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| Structure |
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| Formula |
C8H4N2O4
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| Molecular Weight |
192.13
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| Canonical SMILES |
O=C1Nc2ccc(cc2C1=O)N(=O)=O
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| InChI |
InChI=1S/C8H4N2O4/c11-7-5-3-4(10(13)14)1-2-6(5)9-8(7)12/h1-3H,(H,9,11,12)
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| InChIKey |
UNMYHYODJHKLOC-UHFFFAOYSA-N
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| CAS |
611-09-6
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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
Clinical Information about the Compound