General Information of the Compound
| Compound ID |
CP0901816
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| Compound Name |
SID22402585
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| Structure |
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| Formula |
C13H11N3O4S
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| Molecular Weight |
305.315
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| Canonical SMILES |
O=C(N/N=C/c1ccc([N+](=O)[O-])s1)C(O)c1ccccc1
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| InChI |
InChI=1S/C13H11N3O4S/c17-12(9-4-2-1-3-5-9)13(18)15-14-8-10-6-7-11(21-10)16(19)20/h1-8,12,17H,(H,15,18)/b14-8+
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| InChIKey |
RFSJPRZOBLMLCJ-RIYZIHGNSA-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
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06033, Microphthalmia-associated transcription factor