General Information of the Compound
| Compound ID |
CP0921168
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| Compound Name |
SID99355952
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| Structure |
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| Formula |
C14H10Br2N2O2
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| Molecular Weight |
398.054
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| Canonical SMILES |
COc1cc2c(c(Br)c1N)-c1cc(Br)c(N)cc1C2=O
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| InChI |
InChI=1S/C14H10Br2N2O2/c1-20-10-4-7-11(12(16)13(10)18)5-2-8(15)9(17)3-6(5)14(7)19/h2-4H,17-18H2,1H3
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| InChIKey |
UCAXNBVCXYTFQK-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: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06172, Mothers against decapentaplegic homolog 3