General Information of the Compound
| Compound ID |
CP0298422
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| Compound Name |
(E)-2-(benzenesulfonyl)-3-[5-(4-bromophenyl)-2-furanyl]-N-(3-pyridinylmethyl)-2-propenamide
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| Structure |
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| Formula |
C25H19BrN2O4S
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| Molecular Weight |
523.408
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| Canonical SMILES |
Brc1ccc(cc1)-c1ccc(\C=C(/C(=O)NCc2cccnc2)S(=O)(=O)c2ccccc2)o1
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| InChI |
InChI=1S/C25H19BrN2O4S/c26-20-10-8-19(9-11-20)23-13-12-21(32-23)15-24(33(30,31)22-6-2-1-3-7-22)25(29)28-17-18-5-4-14-27-16-18/h1-16H,17H2,(H,28,29)/b24-15+
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| InChIKey |
BTMSTXDOHAMGPC-BUVRLJJBSA-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