General Information of the Compound
| Compound ID |
CP0915766
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| Compound Name |
1,3-di((E)-dec-1-enyl)-2,4-dimethyl-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepinium chloride
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| Structure |
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| Formula |
C32H54ClN
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| Molecular Weight |
488.244
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| Canonical SMILES |
CCCCCCCC/C=C/c1c(C)c(/C=C/CCCCCCCC)c2[n+](c1C)CCCCC2.[Cl-]
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| InChI |
InChI=1S/C32H54N.ClH/c1-5-7-9-11-13-15-17-20-24-30-28(3)31(25-21-18-16-14-12-10-8-6-2)32-26-22-19-23-27-33(32)29(30)4;/h20-21,24-25H,5-19,22-23,26-27H2,1-4H3;1H/q+1;/p-1/b24-20+,25-21+;
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| InChIKey |
JCEZMABSLUBXIG-KTOGQCOKSA-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