General Information of the Compound
| Compound ID |
CP0500344
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| Compound Name |
N-(3-chloro-4-methoxyphenyl)-N-[2-oxo-2-(2-phenylethylamino)-1-thiophen-2-ylethyl]prop-2-enamide
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| Formula |
C24H23ClN2O3S
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| Molecular Weight |
454.979
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| Canonical SMILES |
COc1ccc(cc1Cl)N(C(C(=O)NCCc1ccccc1)c1cccs1)C(=O)C=C
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| InChI |
InChI=1S/C24H23ClN2O3S/c1-3-22(28)27(18-11-12-20(30-2)19(25)16-18)23(21-10-7-15-31-21)24(29)26-14-13-17-8-5-4-6-9-17/h3-12,15-16,23H,1,13-14H2,2H3,(H,26,29)
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| InChIKey |
KWVANYXNEBSXDF-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