General Information of the Compound
| Compound ID |
CP0874652
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| Compound Name |
SID24830772
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| Structure |
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| Formula |
C22H24Br2N2S
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| Molecular Weight |
508.323
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| Canonical SMILES |
CC(C)(C)c1ccc(-c2c[n+](-c3ccc(Br)cc3)c3n2CCCS3)cc1.[Br-]
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| InChI |
InChI=1S/C22H24BrN2S.BrH/c1-22(2,3)17-7-5-16(6-8-17)20-15-25(19-11-9-18(23)10-12-19)21-24(20)13-4-14-26-21;/h5-12,15H,4,13-14H2,1-3H3;1H/q+1;/p-1
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| InChIKey |
MVNMFEQDIZUTGN-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