General Information of the Compound
| Compound ID |
CP0760000
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| Compound Name |
SID17387029
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| Structure |
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| Formula |
C19H18BrNO3
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| Molecular Weight |
388.261
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| Canonical SMILES |
CCC(=O)Nc1cccc(C(=O)/C=C/c2cc(Br)ccc2OC)c1
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| InChI |
InChI=1S/C19H18BrNO3/c1-3-19(23)21-16-6-4-5-13(12-16)17(22)9-7-14-11-15(20)8-10-18(14)24-2/h4-12H,3H2,1-2H3,(H,21,23)/b9-7+
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| InChIKey |
WZRZUAQHORWSBK-VQHVLOKHSA-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: PT06172, Mothers against decapentaplegic homolog 3