General Information of the Compound
| Compound ID |
CP0377553
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| Compound Name |
(E)-2-(benzenesulfonyl)-3-[5-(3,4-dichlorophenyl)-2-furanyl]-N-(3-pyridinylmethyl)-2-propenamide
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| Structure |
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| Formula |
C25H18Cl2N2O4S
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| Molecular Weight |
513.402
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| Canonical SMILES |
Clc1ccc(cc1Cl)-c1ccc(\C=C(/C(=O)NCc2cccnc2)S(=O)(=O)c2ccccc2)o1
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| InChI |
InChI=1S/C25H18Cl2N2O4S/c26-21-10-8-18(13-22(21)27)23-11-9-19(33-23)14-24(34(31,32)20-6-2-1-3-7-20)25(30)29-16-17-5-4-12-28-15-17/h1-15H,16H2,(H,29,30)/b24-14+
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| InChIKey |
RCFYSZPTSHODKC-ZVHZXABRSA-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: PT06124, Paired box protein Pax-8