General Information of the Compound
| Compound ID |
CP0254479
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| Compound Name |
2-{4-[3-(4-Pyrimidin-2-yl-piperazin-1-yl)-propoxy]-phenyl}-1H-benzoimidazole
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| Structure |
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| Formula |
C24H26N6O
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| Molecular Weight |
414.513
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| Canonical SMILES |
C(COc1ccc(cc1)-c1nc2ccccc2[nH]1)CN1CCN(CC1)c1ncccn1
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| InChI |
InChI=1S/C24H26N6O/c1-2-6-22-21(5-1)27-23(28-22)19-7-9-20(10-8-19)31-18-4-13-29-14-16-30(17-15-29)24-25-11-3-12-26-24/h1-3,5-12H,4,13-18H2,(H,27,28)
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| InChIKey |
HKDCDBFKNRMFSY-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