General Information of the Compound
| Compound ID |
CP0424088
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| Compound Name |
1-[4,4-bis(4-methoxyphenyl)-4-(1,3-thiazol-2-yl)but-2-ynyl]piperidine-3-carboxylic acid
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| Structure |
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| Formula |
C27H28N2O4S
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| Molecular Weight |
476.598
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| Canonical SMILES |
COc1ccc(cc1)C(C#CCN1CCCC(C1)C(O)=O)(c1nccs1)c1ccc(OC)cc1
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| InChI |
InChI=1S/C27H28N2O4S/c1-32-23-10-6-21(7-11-23)27(26-28-15-18-34-26,22-8-12-24(33-2)13-9-22)14-4-17-29-16-3-5-20(19-29)25(30)31/h6-13,15,18,20H,3,5,16-17,19H2,1-2H3,(H,30,31)
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| InChIKey |
DLOAVGKWZGUJLW-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