General Information of the Compound
| Compound ID |
CP0691378
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| Compound Name |
SID47204543
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| Structure |
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| Formula |
C19H21IN2
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| Molecular Weight |
404.295
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| Canonical SMILES |
CC(C)n1cc(/C=C/c2cc[n+](C)cc2)c2ccccc21.[I-]
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| InChI |
InChI=1S/C19H21N2.HI/c1-15(2)21-14-17(18-6-4-5-7-19(18)21)9-8-16-10-12-20(3)13-11-16;/h4-15H,1-3H3;1H/q+1;/p-1
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| InChIKey |
NVJCUSHRHPTHNL-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: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06033, Microphthalmia-associated transcription factor