General Information of the Compound
| Compound ID |
CP0152643
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| Compound Name |
MLS000592149
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| Structure |
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| Formula |
C11H8N4O3S
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| Molecular Weight |
276.277
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| Canonical SMILES |
[O-][N+](=O)c1ccc(\C=N\NC(=O)c2cccnc2)s1
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| InChI |
InChI=1S/C11H8N4O3S/c16-11(8-2-1-5-12-6-8)14-13-7-9-3-4-10(19-9)15(17)18/h1-7H,(H,14,16)/b13-7+
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| InChIKey |
KFQYDHVVCXUQTM-NTUHNPAUSA-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: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06033, Microphthalmia-associated transcription factor