General Information of the Compound
| Compound ID |
CP0875941
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| Compound Name |
SID26660762
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| Structure |
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| Formula |
C17H31BrN2
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| Molecular Weight |
343.353
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| Canonical SMILES |
Br.CCCCCCCCCCCCn1ccc(=N)cc1
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| InChI |
InChI=1S/C17H30N2.BrH/c1-2-3-4-5-6-7-8-9-10-11-14-19-15-12-17(18)13-16-19;/h12-13,15-16,18H,2-11,14H2,1H3;1H
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| InChIKey |
ANXKJACJVUEQOC-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