General Information of the Compound
| Compound ID |
CP0764619
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| Compound Name |
SID14732518
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| Structure |
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| Formula |
C15H19BrClN3
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| Molecular Weight |
356.695
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| Canonical SMILES |
CCCCN1CCc2c1nc1ccc(Br)cc1c2N.Cl
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| InChI |
InChI=1S/C15H18BrN3.ClH/c1-2-3-7-19-8-6-11-14(17)12-9-10(16)4-5-13(12)18-15(11)19;/h4-5,9H,2-3,6-8H2,1H3,(H2,17,18);1H
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| InChIKey |
ROSLWENMJSYYGU-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