General Information of the Compound
| Compound ID |
CP0754567
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| Compound Name |
SID24816579
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| Structure |
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| Formula |
C27H32BrF2N3O3
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| Molecular Weight |
564.471
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| Canonical SMILES |
Cc1ccc(C(C)C)c(OCc2n[n+](CC(=O)c3ccc(OC(F)F)cc3)c3n2CCCCC3)c1.[Br-]
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| InChI |
InChI=1S/C27H32F2N3O3.BrH/c1-18(2)22-13-8-19(3)15-24(22)34-17-25-30-32(26-7-5-4-6-14-31(25)26)16-23(33)20-9-11-21(12-10-20)35-27(28)29;/h8-13,15,18,27H,4-7,14,16-17H2,1-3H3;1H/q+1;/p-1
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| InChIKey |
ULVKDIJASROLLP-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