General Information of the Compound
| Compound ID |
CP0487596
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| Compound Name |
[4-[(2,4-dimethylphenyl)methyl]-1,4-diazepan-1-yl]-phenylmethanone
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| Structure |
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| Formula |
C21H26N2O
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| Molecular Weight |
322.452
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| Canonical SMILES |
Cc1ccc(CN2CCCN(CC2)C(=O)c2ccccc2)c(C)c1
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| InChI |
InChI=1S/C21H26N2O/c1-17-9-10-20(18(2)15-17)16-22-11-6-12-23(14-13-22)21(24)19-7-4-3-5-8-19/h3-5,7-10,15H,6,11-14,16H2,1-2H3
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| InChIKey |
XQVWMAMJEZDLJJ-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