General Information of the Compound
| Compound ID |
CP0879066
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| Compound Name |
3-(4-((2-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)thiazol-5-yl)methoxy)phenyl)hex-4-ynoic acid
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| Structure |
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| Formula |
C26H24N2O4S
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| Molecular Weight |
460.555
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| Canonical SMILES |
CC#CC(CC(=O)O)c1ccc(OCc2cnc(C(=O)N3CCc4ccccc4C3)s2)cc1
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| InChI |
InChI=1S/C26H24N2O4S/c1-2-5-20(14-24(29)30)19-8-10-22(11-9-19)32-17-23-15-27-25(33-23)26(31)28-13-12-18-6-3-4-7-21(18)16-28/h3-4,6-11,15,20H,12-14,16-17H2,1H3,(H,29,30)
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| InChIKey |
OZWVQBAVDFACOK-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