General Information of the Compound
| Compound ID |
CP0522841
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| Compound Name |
[4-[(7-chloro-2H-chromene-3-carbonyl)amino]phenyl]methyl-dimethyl-(oxan-4-yl)azanium
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| Structure |
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| Formula |
C24H28ClN2O3+
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| Molecular Weight |
427.952
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| Canonical SMILES |
C[N+](C)(Cc1ccc(NC(=O)C2=Cc3ccc(Cl)cc3OC2)cc1)C1CCOCC1
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| InChI |
InChI=1S/C24H27ClN2O3/c1-27(2,22-9-11-29-12-10-22)15-17-3-7-21(8-4-17)26-24(28)19-13-18-5-6-20(25)14-23(18)30-16-19/h3-8,13-14,22H,9-12,15-16H2,1-2H3/p+1
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| InChIKey |
GVYXGABQUWIFOF-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