General Information of the Compound
| Compound ID |
CP0530903
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| Compound Name |
[4-[(3-methoxybenzoyl)amino]phenyl]methyl-dimethyl-(oxan-4-yl)azanium
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| Structure |
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| Formula |
C22H29N2O3+
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| Molecular Weight |
369.485
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| Canonical SMILES |
COc1cccc(c1)C(=O)Nc1ccc(C[N+](C)(C)C2CCOCC2)cc1
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| InChI |
InChI=1S/C22H28N2O3/c1-24(2,20-11-13-27-14-12-20)16-17-7-9-19(10-8-17)23-22(25)18-5-4-6-21(15-18)26-3/h4-10,15,20H,11-14,16H2,1-3H3/p+1
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| InChIKey |
FXYLUMXISUSWSG-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