General Information of the Compound
| Compound ID |
CP0775511
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| Compound Name |
SID17432833
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| Structure |
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| Formula |
C18H13BrF3N3O3
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| Molecular Weight |
456.218
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| Canonical SMILES |
CCCc1nc2ccc(Br)cc2c(=O)n1-c1ccc([N+](=O)[O-])c(C(F)(F)F)c1
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| InChI |
InChI=1S/C18H13BrF3N3O3/c1-2-3-16-23-14-6-4-10(19)8-12(14)17(26)24(16)11-5-7-15(25(27)28)13(9-11)18(20,21)22/h4-9H,2-3H2,1H3
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| InChIKey |
HCIWJYRFDLXLJI-UHFFFAOYSA-N
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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: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06101, Latent membrane protein 1