General Information of the Compound
| Compound ID |
CP0012388
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| Compound Name |
MLS000708339
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| Structure |
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| Formula |
C19H22N4O5
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| Molecular Weight |
386.408
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| Canonical SMILES |
CC(C)C(=O)N1CCN(CC1)c1ccc(NC(=O)c2ccc(o2)[N+]([O-])=O)cc1
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| InChI |
InChI=1S/C19H22N4O5/c1-13(2)19(25)22-11-9-21(10-12-22)15-5-3-14(4-6-15)20-18(24)16-7-8-17(28-16)23(26)27/h3-8,13H,9-12H2,1-2H3,(H,20,24)
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| InChIKey |
GZRYTHJYFZWAQX-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: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06124, Paired box protein Pax-8