General Information of the Compound
| Compound ID |
CP0543591
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| Compound Name |
1-[4-[2-(1H-benzimidazol-2-yl)phenyl]piperazin-1-yl]-2-imidazo[4,5-b]pyridin-3-ylethanone
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| Structure |
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| Formula |
C25H23N7O
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| Molecular Weight |
437.507
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| Canonical SMILES |
O=C(Cn1cnc2cccnc12)N1CCN(CC1)c1ccccc1-c1nc2ccccc2[nH]1
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| InChI |
InChI=1S/C25H23N7O/c33-23(16-32-17-27-21-9-5-11-26-25(21)32)31-14-12-30(13-15-31)22-10-4-1-6-18(22)24-28-19-7-2-3-8-20(19)29-24/h1-11,17H,12-16H2,(H,28,29)
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| InChIKey |
VMGIBKXRQBDEKY-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