General Information of the Compound
| Compound ID |
CP0057207
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| Compound Name |
(Z)-6'-Bromo-1H,1'H-[2,3']biindolylidene-3,2'-dione 3-oxime
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| Synonyms |
6-bromoindirubin-3'-oxime (BIO)
6-bromoindirubin-3-oxime
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| Structure |
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| Formula |
C16H10BrN3O2
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| Molecular Weight |
356.179
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| Canonical SMILES |
Oc1[nH]c2cc(Br)ccc2c1-c1[nH]c2ccccc2c1N=O
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| InChI |
InChI=1S/C16H10BrN3O2/c17-8-5-6-9-12(7-8)19-16(21)13(9)15-14(20-22)10-3-1-2-4-11(10)18-15/h1-7,18-19,21H
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| InChIKey |
SAQUSDSPQYQNBG-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: PT01065, Serine/threonine-protein kinase mTOR
Clinical Information about the Compound