General Information of the Compound
| Compound ID |
CP0845377
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| Compound Name |
2,2'-[4,5-Acridindiylbis(methyleneimino)]bis(N,N,N-trimethyl-3-oxopropylammonium)diiodide
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| Structure |
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| Formula |
C27H39I2N5O2
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| Molecular Weight |
719.45
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| Canonical SMILES |
C[N+](C)(C)CCC(=O)NCc1cccc2cc3cccc(CNC(=O)CC[N+](C)(C)C)c3nc12.[I-].[I-]
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| InChI |
InChI=1S/C27H37N5O2.2HI/c1-31(2,3)15-13-24(33)28-18-22-11-7-9-20-17-21-10-8-12-23(27(21)30-26(20)22)19-29-25(34)14-16-32(4,5)6;;/h7-12,17H,13-16,18-19H2,1-6H3;2*1H
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| InChIKey |
IIABWQCRSMMWNZ-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