General Information of the Compound
| Compound ID |
CP0907371
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| Compound Name |
SID121285941
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| Structure |
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| Formula |
C22H19BrN2O
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| Molecular Weight |
407.311
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| Canonical SMILES |
COc1ccc(Cc2c(-c3ccccc3)nc3ccc(Br)cn23)c(C)c1
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| InChI |
InChI=1S/C22H19BrN2O/c1-15-12-19(26-2)10-8-17(15)13-20-22(16-6-4-3-5-7-16)24-21-11-9-18(23)14-25(20)21/h3-12,14H,13H2,1-2H3
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| InChIKey |
KUOQRWJTXNJRRY-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