General Information of the Compound
| Compound ID |
CP0548518
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| Compound Name |
3-[5-[[3-[2,6-dimethyl-4-[(3-methyloxetan-3-yl)methoxy]phenyl]phenyl]methoxy]thiophen-2-yl]hex-4-ynoic acid
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| Structure |
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| Formula |
C30H32O5S
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| Molecular Weight |
504.648
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| Canonical SMILES |
CC#CC(CC(O)=O)c1ccc(OCc2cccc(c2)-c2c(C)cc(OCC3(C)COC3)cc2C)s1
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| InChI |
InChI=1S/C30H32O5S/c1-5-7-23(15-27(31)32)26-10-11-28(36-26)34-16-22-8-6-9-24(14-22)29-20(2)12-25(13-21(29)3)35-19-30(4)17-33-18-30/h6,8-14,23H,15-19H2,1-4H3,(H,31,32)
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| InChIKey |
KFOWTZGHAPRQAS-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