General Information of the Compound
| Compound ID |
CP0882602
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| Compound Name |
SID17508112
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| Structure |
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| Formula |
C23H28IN3O2
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| Molecular Weight |
505.4
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| Canonical SMILES |
CCOC(=O)c1ccc2c(c1)[n+](CC)c(/C=C/N(C)c1ccccc1)n2CC.[I-]
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| InChI |
InChI=1S/C23H28N3O2.HI/c1-5-25-20-14-13-18(23(27)28-7-3)17-21(20)26(6-2)22(25)15-16-24(4)19-11-9-8-10-12-19;/h8-17H,5-7H2,1-4H3;1H/q+1;/p-1
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| InChIKey |
WNPKYSXIXONTDJ-UHFFFAOYSA-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
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06033, Microphthalmia-associated transcription factor