General Information of the Compound
| Compound ID |
CP0447377
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| Compound Name |
1,1'-(3,3'-(9-oxo-8a,9-dihydroacridine-2,7-diyl)bis(azanediyl)bis(3-oxopropane-3,1-diyl))bis(1-methylpiperazin-1-ium)
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| Structure |
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| Formula |
C29H41N7O3+2
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| Molecular Weight |
535.693
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| Canonical SMILES |
C[N+]1(CCC(=O)Nc2ccc3nc4ccc(NC(=O)CC[N+]5(C)CCNCC5)cc4c(O)c3c2)CCNCC1
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| InChI |
InChI=1S/C29H39N7O3/c1-35(15-9-30-10-16-35)13-7-27(37)32-21-3-5-25-23(19-21)29(39)24-20-22(4-6-26(24)34-25)33-28(38)8-14-36(2)17-11-31-12-18-36/h3-6,19-20,30-31H,7-18H2,1-2H3,(H-2,32,33,34,37,38,39)/p+2
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| InChIKey |
DNJWKTRXROMVOQ-UHFFFAOYSA-P
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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