General Information of the Compound
| Compound ID |
CP0476393
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| Compound Name |
2-[(1-Benzyl-1H-benzoimidazol-2-ylmethyl)-ethyl-amino]-1-[4-(1-methyl-piperidin-4-yl)-piperazin-1-yl]-ethanone
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| Structure |
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| Formula |
C29H40N6O
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| Molecular Weight |
488.68
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| Canonical SMILES |
CCN(CC(=O)N1CCN(CC1)C1CCN(C)CC1)Cc1nc2ccccc2n1Cc1ccccc1
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| InChI |
InChI=1S/C29H40N6O/c1-3-32(23-29(36)34-19-17-33(18-20-34)25-13-15-31(2)16-14-25)22-28-30-26-11-7-8-12-27(26)35(28)21-24-9-5-4-6-10-24/h4-12,25H,3,13-23H2,1-2H3
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| InChIKey |
FLGLCLDVIXXHPF-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