General Information of the Compound
| Compound ID |
CP0578977
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| Compound Name |
2-[benzyl-[[4-(diethylamino)phenyl]methyl]amino]-1-(3,4-dichlorophenyl)ethanone
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| Structure |
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| Formula |
C26H28Cl2N2O
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| Molecular Weight |
455.429
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| Canonical SMILES |
CCN(CC)c1ccc(CN(CC(=O)c2ccc(Cl)c(Cl)c2)Cc2ccccc2)cc1
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| InChI |
InChI=1S/C26H28Cl2N2O/c1-3-30(4-2)23-13-10-21(11-14-23)18-29(17-20-8-6-5-7-9-20)19-26(31)22-12-15-24(27)25(28)16-22/h5-16H,3-4,17-19H2,1-2H3
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| InChIKey |
UESJKJPQJYLSQP-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