General Information of the Compound
| Compound ID |
CP0672118
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| Compound Name |
Piperilate Ethobromide
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| Structure |
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| Formula |
C23H30BrNO3
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| Molecular Weight |
448.401
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| Canonical SMILES |
CC[N+]1(CCOC(=O)C(O)(c2ccccc2)c2ccccc2)CCCCC1.[Br-]
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| InChI |
InChI=1S/C23H30NO3.BrH/c1-2-24(16-10-5-11-17-24)18-19-27-22(25)23(26,20-12-6-3-7-13-20)21-14-8-4-9-15-21;/h3-4,6-9,12-15,26H,2,5,10-11,16-19H2,1H3;1H/q+1;/p-1
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| InChIKey |
VPUGSHLBERYQGC-UHFFFAOYSA-M
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| CAS |
23182-46-9
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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