General Information of the Compound
| Compound ID |
CP0941940
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| Compound Name |
N-(7,9-Difluoro-5-N-methyl-10H-indolo[3,2-b]quinolin-5-ium)-N,N-diethyl-propane-1,3-diamine Iodide
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| Structure |
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| Formula |
C23H27F2IN4
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| Molecular Weight |
524.397
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| Canonical SMILES |
CCN(CC)CCCNc1c2ccccc2[n+](C)c2c1[nH]c1c(F)cc(F)cc12.[I-]
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| InChI |
InChI=1S/C23H26F2N4.HI/c1-4-29(5-2)12-8-11-26-21-16-9-6-7-10-19(16)28(3)23-17-13-15(24)14-18(25)20(17)27-22(21)23;/h6-7,9-10,13-14H,4-5,8,11-12H2,1-3H3,(H,26,27);1H
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| InChIKey |
KGCGMXTYOMJBDN-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