General Information of the Compound
| Compound ID |
CP0662570
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| Compound Name |
SID17416258
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| Structure |
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| Formula |
C26H30BrNOS
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| Molecular Weight |
484.503
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| Canonical SMILES |
Cc1ccc(CCSc2ccc(C(C)(C)C)cc2)c[n+]1CC(=O)c1ccccc1.[Br-]
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| InChI |
InChI=1S/C26H30NOS.BrH/c1-20-10-11-21(18-27(20)19-25(28)22-8-6-5-7-9-22)16-17-29-24-14-12-23(13-15-24)26(2,3)4;/h5-15,18H,16-17,19H2,1-4H3;1H/q+1;/p-1
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| InChIKey |
VPLAWTUHLLFFFO-UHFFFAOYSA-M
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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