General Information of the Compound
| Compound ID |
CP0913386
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| Compound Name |
8-Dec-1-(E)-enyl-5,7-dimethyl-2,3-dihydro-1Hindolizinium chloride
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| Structure |
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| Formula |
C20H32ClN
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| Molecular Weight |
321.936
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| Canonical SMILES |
CCCCCCCC/C=C/c1c(C)cc(C)[n+]2c1CCC2.[Cl-]
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| InChI |
InChI=1S/C20H32N.ClH/c1-4-5-6-7-8-9-10-11-13-19-17(2)16-18(3)21-15-12-14-20(19)21;/h11,13,16H,4-10,12,14-15H2,1-3H3;1H/q+1;/p-1/b13-11+;
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| InChIKey |
OINFQEAHRXUZRF-BNSHTTSQSA-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
Protein ID: PT00903, C-C chemokine receptor type 5
Cell Viability or Cytotoxicity Assay