General Information of the Compound
| Compound ID |
CP0921737
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| Compound Name |
methyl 7-((5S)-5-(4-(1-hydroxyhexyl)phenyl)cyclopent-1-enyl)heptanoate
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| Structure |
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| Formula |
C25H38O3
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| Molecular Weight |
386.576
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| Canonical SMILES |
CCCCCC(O)c1ccc([C@H]2CCC=C2CCCCCCC(=O)OC)cc1
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| InChI |
InChI=1S/C25H38O3/c1-3-4-7-14-24(26)22-18-16-21(17-19-22)23-13-10-12-20(23)11-8-5-6-9-15-25(27)28-2/h12,16-19,23-24,26H,3-11,13-15H2,1-2H3/t23-,24?/m0/s1
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| InChIKey |
YSEZRHJTBQVFOZ-UXMRNZNESA-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