General Information of the Compound
| Compound ID |
CP0910755
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| Compound Name |
5,7-dimethyl-6,8-bis((4-methylbenzamido)methyl)-2,3-dihydro-1H-indolizinium chloride
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| Structure |
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| Formula |
C28H32ClN3O2
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| Molecular Weight |
478.036
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| Canonical SMILES |
Cc1ccc(C(=O)NCc2c(C)c(CNC(=O)c3ccc(C)cc3)c3[n+](c2C)CCC3)cc1.[Cl-]
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| InChI |
InChI=1S/C28H31N3O2.ClH/c1-18-7-11-22(12-8-18)27(32)29-16-24-20(3)25(26-6-5-15-31(26)21(24)4)17-30-28(33)23-13-9-19(2)10-14-23;/h7-14H,5-6,15-17H2,1-4H3,(H-,29,30,32,33);1H
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| InChIKey |
WGPPRUSEPSMLLP-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