General Information of the Compound
| Compound ID |
CP0879065
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| Compound Name |
3-(4-((2-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoyl)thiazol-5-yl)methoxy)phenyl)hex-4-ynoic acid
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| Structure |
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| Formula |
C27H26N2O4S
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| Molecular Weight |
474.582
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| Canonical SMILES |
CC#CC(CC(=O)O)c1ccc(OCc2cnc(C(=O)NC3CCCc4ccccc43)s2)cc1
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| InChI |
InChI=1S/C27H26N2O4S/c1-2-6-20(15-25(30)31)18-11-13-21(14-12-18)33-17-22-16-28-27(34-22)26(32)29-24-10-5-8-19-7-3-4-9-23(19)24/h3-4,7,9,11-14,16,20,24H,5,8,10,15,17H2,1H3,(H,29,32)(H,30,31)
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| InChIKey |
XNBNQXSRSWCVJA-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