General Information of the Compound
| Compound ID |
CP0636791
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| Compound Name |
SID56463275
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| Structure |
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| Formula |
C22H30INO
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| Molecular Weight |
451.392
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| Canonical SMILES |
CC[N+](CC)(CC)CCOc1ccc(/C=C/c2ccccc2)cc1.[I-]
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| InChI |
InChI=1S/C22H30NO.HI/c1-4-23(5-2,6-3)18-19-24-22-16-14-21(15-17-22)13-12-20-10-8-7-9-11-20;/h7-17H,4-6,18-19H2,1-3H3;1H/q+1;/p-1/b13-12+;
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| InChIKey |
RDTKUZXIHMTSJO-UEIGIMKUSA-M
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| CAS |
77257-42-2
2551-76-0
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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
Protein ID: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT01846, Neuronal acetylcholine receptor subunit alpha-7