General Information of the Compound
| Compound ID |
CP0502043
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| Compound Name |
[4-[(4-chlorobenzoyl)amino]phenyl]methyl-dimethyl-(oxan-4-yl)azanium
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| Structure |
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| Formula |
C21H26ClN2O2+
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| Molecular Weight |
373.904
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| Canonical SMILES |
C[N+](C)(Cc1ccc(NC(=O)c2ccc(Cl)cc2)cc1)C1CCOCC1
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| InChI |
InChI=1S/C21H25ClN2O2/c1-24(2,20-11-13-26-14-12-20)15-16-3-9-19(10-4-16)23-21(25)17-5-7-18(22)8-6-17/h3-10,20H,11-15H2,1-2H3/p+1
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| InChIKey |
WRGXLYXHBSPUAR-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