General Information of the Compound
| Compound ID |
CP0401802
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| Compound Name |
1-(4-((1H-benzo[d]imidazol-2-yl)methyl)-1,4-diazepan-1-yl)-2-(2,6-diethylphenylamino)ethanone
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| Structure |
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| Formula |
C25H33N5O
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| Molecular Weight |
419.573
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| Canonical SMILES |
CCc1cccc(CC)c1NCC(=O)N1CCCN(Cc2nc3ccccc3[nH]2)CC1
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| InChI |
InChI=1S/C25H33N5O/c1-3-19-9-7-10-20(4-2)25(19)26-17-24(31)30-14-8-13-29(15-16-30)18-23-27-21-11-5-6-12-22(21)28-23/h5-7,9-12,26H,3-4,8,13-18H2,1-2H3,(H,27,28)
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| InChIKey |
QTFUOFFNOYRSMR-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