General Information of the Compound
| Compound ID |
CP0790084
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| Compound Name |
SID164339407
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| Structure |
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| Formula |
C19H16BrN3O2S2
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| Molecular Weight |
462.394
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| Canonical SMILES |
O=C(CCCN1C(=O)/C(=C\c2cccc(Br)c2)SC1=S)Nc1cccnc1
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| InChI |
InChI=1S/C19H16BrN3O2S2/c20-14-5-1-4-13(10-14)11-16-18(25)23(19(26)27-16)9-3-7-17(24)22-15-6-2-8-21-12-15/h1-2,4-6,8,10-12H,3,7,9H2,(H,22,24)/b16-11+
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| InChIKey |
SLUCLDMBSGIFHY-LFIBNONCSA-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