General Information of the Compound
| Compound ID |
CP0885856
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| Compound Name |
SID17412763
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| Structure |
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| Formula |
C24H27BrN2O
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| Molecular Weight |
439.397
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| Canonical SMILES |
Cc1ccc(C(=O)Cn2cc(-c3ccc(C)cc3)[n+]3c2CCCCC3)cc1.[Br-]
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| InChI |
InChI=1S/C24H27N2O.BrH/c1-18-7-11-20(12-8-18)22-16-25(24-6-4-3-5-15-26(22)24)17-23(27)21-13-9-19(2)10-14-21;/h7-14,16H,3-6,15,17H2,1-2H3;1H/q+1;/p-1
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| InChIKey |
ANJFSNNPLUNHIK-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