General Information of the Compound
| Compound ID |
CP0707580
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| Compound Name |
SID24808858
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| Structure |
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| Formula |
C18H19ClN4O5
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| Molecular Weight |
406.826
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| Canonical SMILES |
CCC(=O)N1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2Cl)CC1
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| InChI |
InChI=1S/C18H19ClN4O5/c1-2-16(24)22-9-7-21(8-10-22)14-4-3-12(11-13(14)19)20-18(25)15-5-6-17(28-15)23(26)27/h3-6,11H,2,7-10H2,1H3,(H,20,25)
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| InChIKey |
SNPPCSIYVHPCCW-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: PT06033, Microphthalmia-associated transcription factor
Protein ID: PT06124, Paired box protein Pax-8