General Information of the Compound
| Compound ID |
CP0818216
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| Compound Name |
SID121269802
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| Structure |
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| Formula |
C21H18N2O8S
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| Molecular Weight |
458.448
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| Canonical SMILES |
COc1ccc(S(=O)(=O)N(C(C)=O)c2ccc(OC(C)=O)c3ccccc23)cc1[N+](=O)[O-]
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| InChI |
InChI=1S/C21H18N2O8S/c1-13(24)22(32(28,29)15-8-10-21(30-3)19(12-15)23(26)27)18-9-11-20(31-14(2)25)17-7-5-4-6-16(17)18/h4-12H,1-3H3
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| InChIKey |
ODWYCSNXCTXGLE-UHFFFAOYSA-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