General Information of the Compound
| Compound ID |
CP0857645
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| Compound Name |
4-((3'-((benzo[d][1,3]dioxole-5-carboxamido)methyl)biphenyl-3-yl)methyl)-1,1-dimethylpiperazin-1-ium
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| Structure |
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| Formula |
C28H32IN3O3
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| Molecular Weight |
585.486
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| Canonical SMILES |
C[N+]1(C)CCN(Cc2cccc(-c3cccc(CNC(=O)c4ccc5c(c4)OCO5)c3)c2)CC1.[I-]
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| InChI |
InChI=1S/C28H31N3O3.HI/c1-31(2)13-11-30(12-14-31)19-22-6-4-8-24(16-22)23-7-3-5-21(15-23)18-29-28(32)25-9-10-26-27(17-25)34-20-33-26;/h3-10,15-17H,11-14,18-20H2,1-2H3;1H
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| InChIKey |
ICFWBEXJAZPKES-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