General Information of the Compound
| Compound ID |
CP0553859
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| Compound Name |
dimethyl-[[4-[(7-methyl-2H-chromene-3-carbonyl)amino]phenyl]methyl]-(oxan-4-yl)azanium
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| Structure |
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| Formula |
C25H31N2O3+
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| Molecular Weight |
407.534
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| Canonical SMILES |
Cc1ccc2C=C(COc2c1)C(=O)Nc1ccc(C[N+](C)(C)C2CCOCC2)cc1
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| InChI |
InChI=1S/C25H30N2O3/c1-18-4-7-20-15-21(17-30-24(20)14-18)25(28)26-22-8-5-19(6-9-22)16-27(2,3)23-10-12-29-13-11-23/h4-9,14-15,23H,10-13,16-17H2,1-3H3/p+1
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| InChIKey |
FVKYPFKYQOEVNL-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