General Information of the Compound
| Compound ID |
CP0957602
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| Compound Name |
SID49643455
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| Structure |
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| Formula |
C20H19BrN2O4
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| Molecular Weight |
431.286
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| Canonical SMILES |
COc1ccc(COC(=O)C2=C(C)NC(=O)NC2c2cccc(Br)c2)cc1
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| InChI |
InChI=1S/C20H19BrN2O4/c1-12-17(19(24)27-11-13-6-8-16(26-2)9-7-13)18(23-20(25)22-12)14-4-3-5-15(21)10-14/h3-10,18H,11H2,1-2H3,(H2,22,23,25)
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| InChIKey |
RFFJGOJEJUPZMQ-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: PT06392, Sodium/iodide cotransporter