General Information of the Compound
| Compound ID |
CP0201393
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| Compound Name |
MLS000706228
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| Structure |
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| Formula |
C17H19ClN4O4
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| Molecular Weight |
378.816
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| Canonical SMILES |
CCN1CCN(CC1)c1ccc(NC(=O)c2ccc(o2)[N+]([O-])=O)cc1Cl
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| InChI |
InChI=1S/C17H19ClN4O4/c1-2-20-7-9-21(10-8-20)14-4-3-12(11-13(14)18)19-17(23)15-5-6-16(26-15)22(24)25/h3-6,11H,2,7-10H2,1H3,(H,19,23)
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| InChIKey |
GGQOVVCYIKFWMM-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