General Information of the Compound
| Compound ID |
CP0917418
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| Compound Name |
1-((1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)-N,N-dimethyl-N-((9-methyl-9H-carbazol-2-yl)methyl)methanaminium iodide
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| Structure |
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| Formula |
C26H33IN2
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| Molecular Weight |
500.468
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| Canonical SMILES |
Cn1c2ccccc2c2ccc(C[N+](C)(C)CC3=CC[C@H]4C[C@@H]3C4(C)C)cc21.[I-]
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| InChI |
InChI=1S/C26H33N2.HI/c1-26(2)20-12-11-19(23(26)15-20)17-28(4,5)16-18-10-13-22-21-8-6-7-9-24(21)27(3)25(22)14-18;/h6-11,13-14,20,23H,12,15-17H2,1-5H3;1H/q+1;/p-1/t20-,23-;/m0./s1
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| InChIKey |
NGAXIULFAOMSMY-WCRWPNQISA-M
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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