General Information of the Compound
| Compound ID |
CP0870762
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| Compound Name |
SID92764229
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| Structure |
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| Formula |
C18H18N2O6
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| Molecular Weight |
358.35
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| Canonical SMILES |
CCOC(=O)CCc1ccc(NC(=O)/C=C/c2ccc([N+](=O)[O-])o2)cc1
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| InChI |
InChI=1S/C18H18N2O6/c1-2-25-18(22)12-5-13-3-6-14(7-4-13)19-16(21)10-8-15-9-11-17(26-15)20(23)24/h3-4,6-11H,2,5,12H2,1H3,(H,19,21)/b10-8+
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| InChIKey |
XKPGTXPAAQXOAG-CSKARUKUSA-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