General Information of the Compound
| Compound ID |
CP0540517
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| Compound Name |
[4-[(2,4-dimethylphenyl)methyl]-1,4-diazepan-1-yl]-pyridin-4-ylmethanone
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| Structure |
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| Formula |
C20H25N3O
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| Molecular Weight |
323.44
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| Canonical SMILES |
Cc1ccc(CN2CCCN(CC2)C(=O)c2ccncc2)c(C)c1
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| InChI |
InChI=1S/C20H25N3O/c1-16-4-5-19(17(2)14-16)15-22-10-3-11-23(13-12-22)20(24)18-6-8-21-9-7-18/h4-9,14H,3,10-13,15H2,1-2H3
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| InChIKey |
PJAULXQZQOWEPI-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