General Information of the Compound
| Compound ID |
CP0871288
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| Compound Name |
SID17512121
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| Structure |
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| Formula |
C25H28BrN
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| Molecular Weight |
422.41
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| Canonical SMILES |
Cc1ccc(C#CC[N+]2(CC#Cc3ccc(C)cc3)CCCCC2)cc1.[Br-]
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| InChI |
InChI=1S/C25H28N.BrH/c1-22-10-14-24(15-11-22)8-6-20-26(18-4-3-5-19-26)21-7-9-25-16-12-23(2)13-17-25;/h10-17H,3-5,18-21H2,1-2H3;1H/q+1;/p-1
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| InChIKey |
ZADRKTKNQPEJSQ-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