General Information of the Compound
| Compound ID |
CP0122570
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| Compound Name |
MLS001162536
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| Structure |
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| Formula |
C22H16BrN3O3
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| Molecular Weight |
450.292
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| Canonical SMILES |
Cc1cc(NC(=O)c2cncc(Br)c2)ccc1NC(=O)c1cc2ccccc2o1
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| InChI |
InChI=1S/C22H16BrN3O3/c1-13-8-17(25-21(27)15-9-16(23)12-24-11-15)6-7-18(13)26-22(28)20-10-14-4-2-3-5-19(14)29-20/h2-12H,1H3,(H,25,27)(H,26,28)
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| InChIKey |
IXSJMTMWMIUFQH-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: PT06033, Microphthalmia-associated transcription factor