General Information of the Compound
| Compound ID |
CP0886269
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| Compound Name |
SID87345638
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| Structure |
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| Formula |
C23H18BrN3O2
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| Molecular Weight |
448.32
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| Canonical SMILES |
COc1ccc(/C=N/NC(=O)c2[nH]c3ccc(Br)cc3c2-c2ccccc2)cc1
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| InChI |
InChI=1S/C23H18BrN3O2/c1-29-18-10-7-15(8-11-18)14-25-27-23(28)22-21(16-5-3-2-4-6-16)19-13-17(24)9-12-20(19)26-22/h2-14,26H,1H3,(H,27,28)/b25-14+
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| InChIKey |
IQQPXTGQJUACIQ-AFUMVMLFSA-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: PT06124, Paired box protein Pax-8