General Information of the Compound
| Compound ID |
CP0968092
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| Compound Name |
6,8-bis(benzamidomethyl)-5,7-dimethyl-2,3-dihydro-1H-indolizinium chloride
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| Structure |
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| Formula |
C26H28ClN3O2
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| Molecular Weight |
449.982
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| Canonical SMILES |
Cc1c(CNC(=O)c2ccccc2)c(C)[n+]2c(c1CNC(=O)c1ccccc1)CCC2.[Cl-]
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| InChI |
InChI=1S/C26H27N3O2.ClH/c1-18-22(16-27-25(30)20-10-5-3-6-11-20)19(2)29-15-9-14-24(29)23(18)17-28-26(31)21-12-7-4-8-13-21;/h3-8,10-13H,9,14-17H2,1-2H3,(H-,27,28,30,31);1H
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| InChIKey |
REIXNGVBIQDRAU-UHFFFAOYSA-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