General Information of the Compound
| Compound ID |
CP0875515
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| Compound Name |
SID24817911
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| Structure |
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| Formula |
C17H19Br2N3OS
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| Molecular Weight |
473.234
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| Canonical SMILES |
Br.CCCCn1c(=N)n(CC(=O)c2ccc(Br)s2)c2ccccc21
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| InChI |
InChI=1S/C17H18BrN3OS.BrH/c1-2-3-10-20-12-6-4-5-7-13(12)21(17(20)19)11-14(22)15-8-9-16(18)23-15;/h4-9,19H,2-3,10-11H2,1H3;1H
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| InChIKey |
LYHIAHWATTYRAK-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: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06033, Microphthalmia-associated transcription factor
Protein ID: PT01214, Tyrosine-protein kinase JAK2