General Information of the Compound
| Compound ID |
CP0843654
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| Compound Name |
SID17409225
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| Structure |
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| Formula |
C20H23ClIN3
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| Molecular Weight |
467.782
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| Canonical SMILES |
CCn1c(/C=C/N(C)c2ccccc2)[n+](CC)c2cc(Cl)ccc21.[I-]
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| InChI |
InChI=1S/C20H23ClN3.HI/c1-4-23-18-12-11-16(21)15-19(18)24(5-2)20(23)13-14-22(3)17-9-7-6-8-10-17;/h6-15H,4-5H2,1-3H3;1H/q+1;/p-1
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| InChIKey |
AHEWTHQDQSGKQW-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