General Information of the Compound
| Compound ID |
CP0476392
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| Compound Name |
2-[(1-Benzyl-1H-benzoimidazol-2-ylmethyl)-ethyl-amino]-1-(4-pyridin-4-yl-piperazin-1-yl)-ethanone
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| Structure |
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| Formula |
C28H32N6O
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| Molecular Weight |
468.605
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| Canonical SMILES |
CCN(CC(=O)N1CCN(CC1)c1ccncc1)Cc1nc2ccccc2n1Cc1ccccc1
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| InChI |
InChI=1S/C28H32N6O/c1-2-31(22-28(35)33-18-16-32(17-19-33)24-12-14-29-15-13-24)21-27-30-25-10-6-7-11-26(25)34(27)20-23-8-4-3-5-9-23/h3-15H,2,16-22H2,1H3
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| InChIKey |
ZAWHVIATEKHWAO-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