General Information of the Compound
| Compound ID |
CP0891140
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| Compound Name |
3-methyl-1-(4-((2-(3-nitrophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl)methyl)piperazin-1-yl)butan-1-one
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| Structure |
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| Formula |
C29H31N5O3
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| Molecular Weight |
497.599
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| Canonical SMILES |
CC(C)CC(=O)N1CCN(Cc2c(-c3cccc([N+](=O)[O-])c3)nc3ccc(-c4ccccc4)cn23)CC1
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| InChI |
InChI=1S/C29H31N5O3/c1-21(2)17-28(35)32-15-13-31(14-16-32)20-26-29(23-9-6-10-25(18-23)34(36)37)30-27-12-11-24(19-33(26)27)22-7-4-3-5-8-22/h3-12,18-19,21H,13-17,20H2,1-2H3
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| InChIKey |
GHHWHBNQVOECLV-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