General Information of the Compound
| Compound ID |
CP0515093
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| Compound Name |
N-(3-chloro-4-methoxyphenyl)-4-hydroxy-4-methyl-N-[2-oxo-2-(2-phenylethylamino)-1-thiophen-2-ylethyl]pent-2-ynamide
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| Formula |
C27H27ClN2O4S
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| Molecular Weight |
511.043
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| Canonical SMILES |
COc1ccc(cc1Cl)N(C(C(=O)NCCc1ccccc1)c1cccs1)C(=O)C#CC(C)(C)O
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| InChI |
InChI=1S/C27H27ClN2O4S/c1-27(2,33)15-13-24(31)30(20-11-12-22(34-3)21(28)18-20)25(23-10-7-17-35-23)26(32)29-16-14-19-8-5-4-6-9-19/h4-12,17-18,25,33H,14,16H2,1-3H3,(H,29,32)
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| InChIKey |
VIJVTFLJRIJQOB-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