General Information of the Compound
| Compound ID |
CP0894690
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| Compound Name |
6,8-bis((4-ethylbenzamido)methyl)-5,7-dimethyl-2,3-dihydro-1H-indolizinium chloride
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| Structure |
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| Formula |
C30H36ClN3O2
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| Molecular Weight |
506.09
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| Canonical SMILES |
CCc1ccc(C(=O)NCc2c(C)c(CNC(=O)c3ccc(CC)cc3)c3[n+](c2C)CCC3)cc1.[Cl-]
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| InChI |
InChI=1S/C30H35N3O2.ClH/c1-5-22-9-13-24(14-10-22)29(34)31-18-26-20(3)27(28-8-7-17-33(28)21(26)4)19-32-30(35)25-15-11-23(6-2)12-16-25;/h9-16H,5-8,17-19H2,1-4H3,(H-,31,32,34,35);1H
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| InChIKey |
PYHPGNLTAYISQW-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