General Information of the Compound
| Compound ID |
CP0545888
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| Compound Name |
N-(3-chloro-4-methoxyphenyl)-N-[2-oxo-2-(2-phenylethylamino)-1-thiophen-2-ylethyl]but-2-ynamide
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| Formula |
C25H23ClN2O3S
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| Molecular Weight |
466.99
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| Canonical SMILES |
COc1ccc(cc1Cl)N(C(C(=O)NCCc1ccccc1)c1cccs1)C(=O)C#CC
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| InChI |
InChI=1S/C25H23ClN2O3S/c1-3-8-23(29)28(19-12-13-21(31-2)20(26)17-19)24(22-11-7-16-32-22)25(30)27-15-14-18-9-5-4-6-10-18/h4-7,9-13,16-17,24H,14-15H2,1-2H3,(H,27,30)
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| InChIKey |
VQCHFRXQCKJGDY-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