General Information of the Compound
| Compound ID |
CP0876101
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| Compound Name |
1,7-diazonia-15,21-diazapentacyclo[20.6.2.27,14.08,13.023,28]dotriaconta-1(28),7(32),8,10,12,14(31),22,24,26,29-decaene
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| Structure |
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| Formula |
C28H34I2N4
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| Molecular Weight |
680.416
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| Canonical SMILES |
[I-].[I-].c1ccc2c(c1)c1cc[n+]2CCCCC[n+]2ccc(c3ccccc32)NCCCCCN1
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| InChI |
InChI=1S/C28H32N4.2HI/c1-7-17-29-25-15-21-31(27-13-5-3-11-23(25)27)19-9-2-10-20-32-22-16-26(30-18-8-1)24-12-4-6-14-28(24)32;;/h3-6,11-16,21-22H,1-2,7-10,17-20H2;2*1H
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| InChIKey |
QEMMYKBLSDOLQV-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