General Information of the Compound
| Compound ID |
CP0665321
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| Compound Name |
2-(2-imino-3-(4-methylbenzyl)-2,3-dihydro-1H-benzo[d]imidazol-1-yl)-1-(4-nitrophenyl)ethanone
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| Structure |
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| Formula |
C23H21BrN4O3
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| Molecular Weight |
481.35
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| Canonical SMILES |
Br.Cc1ccc(Cn2c(=N)n(CC(=O)c3ccc([N+](=O)[O-])cc3)c3ccccc32)cc1
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| InChI |
InChI=1S/C23H20N4O3.BrH/c1-16-6-8-17(9-7-16)14-25-20-4-2-3-5-21(20)26(23(25)24)15-22(28)18-10-12-19(13-11-18)27(29)30;/h2-13,24H,14-15H2,1H3;1H
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| InChIKey |
FXAWJAVFVGUPJT-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