General Information of the Compound
| Compound ID |
CP0553858
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| Compound Name |
[4-[(3-cyanobenzoyl)amino]phenyl]methyl-dimethyl-(oxan-4-yl)azanium
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| Structure |
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| Formula |
C22H26N3O2+
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| Molecular Weight |
364.469
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| Canonical SMILES |
C[N+](C)(Cc1ccc(NC(=O)c2cccc(c2)C#N)cc1)C1CCOCC1
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| InChI |
InChI=1S/C22H25N3O2/c1-25(2,21-10-12-27-13-11-21)16-17-6-8-20(9-7-17)24-22(26)19-5-3-4-18(14-19)15-23/h3-9,14,21H,10-13,16H2,1-2H3/p+1
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| InChIKey |
WINCCWBSWUPBFJ-UHFFFAOYSA-O
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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