General Information of the Compound
| Compound ID |
CP0004370
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| Compound Name |
(11bS)-4-methyl-1,2,3,5,6,11b-hexahydro-[1,3]benzodioxolo[5,6-g]indolizin-4-ium;iodide
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| Structure |
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| Formula |
C14H18INO2
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| Molecular Weight |
359.207
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| Canonical SMILES |
[I-].C[N+]12CCC[C@H]1c1cc3OCOc3cc1CC2
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| InChI |
InChI=1S/C14H18NO2.HI/c1-15-5-2-3-12(15)11-8-14-13(16-9-17-14)7-10(11)4-6-15;/h7-8,12H,2-6,9H2,1H3;1H/q+1;/p-1/t12-,15?;/m0./s1
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| InChIKey |
WTWBYKLODFKUNB-VPCQFMPWSA-M
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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