General Information of the Compound
| Compound ID |
CP0796302
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| Compound Name |
SID17511580
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| Structure |
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| Formula |
C26H24BrN
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| Molecular Weight |
430.389
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| Canonical SMILES |
C(#Cc1ccccc1)C[N+]1(CC#Cc2cccc3ccccc23)CCCC1.[Br-]
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| InChI |
InChI=1S/C26H24N.BrH/c1-2-11-23(12-3-1)13-9-21-27(19-6-7-20-27)22-10-17-25-16-8-15-24-14-4-5-18-26(24)25;/h1-5,8,11-12,14-16,18H,6-7,19-22H2;1H/q+1;/p-1
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| InChIKey |
DTRBKCYEEVFOSZ-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