General Information of the Compound
| Compound ID |
CP0907468
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| Compound Name |
1-((3'-((benzo[d][1,3]dioxole-5-carboxamido)methyl)biphenyl-3-yl)methyl)-1-methylpiperazin-1-ium
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| Structure |
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| Formula |
C27H30IN3O3
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| Molecular Weight |
571.459
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| Canonical SMILES |
C[N+]1(Cc2cccc(-c3cccc(CNC(=O)c4ccc5c(c4)OCO5)c3)c2)CCNCC1.[I-]
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| InChI |
InChI=1S/C27H29N3O3.HI/c1-30(12-10-28-11-13-30)18-21-5-3-7-23(15-21)22-6-2-4-20(14-22)17-29-27(31)24-8-9-25-26(16-24)33-19-32-25;/h2-9,14-16,28H,10-13,17-19H2,1H3;1H
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| InChIKey |
CERQWVLDIIWWTD-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