General Information of the Compound
| Compound ID |
CP0919406
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| Compound Name |
SID90341725
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| Structure |
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| Formula |
C21H28NO+
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| Molecular Weight |
310.461
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| Canonical SMILES |
CC[N+](CC)(CC)COc1ccc(/C=C/c2ccccc2)cc1
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| InChI |
InChI=1S/C21H28NO/c1-4-22(5-2,6-3)18-23-21-16-14-20(15-17-21)13-12-19-10-8-7-9-11-19/h7-17H,4-6,18H2,1-3H3/q+1/b13-12+
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| InChIKey |
QXMGSJSQHWXUQG-OUKQBFOZSA-N
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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