General Information of the Compound
| Compound ID |
CP0942917
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| Compound Name |
methyl 7-((1R,2R,5S)-2-chloro-5-(4-(1-hydroxyhexyl)phenyl)cyclopentyl)heptanoate
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| Structure |
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| Formula |
C25H39ClO3
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| Molecular Weight |
423.037
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| Canonical SMILES |
CCCCCC(O)c1ccc([C@H]2CC[C@@H](Cl)[C@@H]2CCCCCCC(=O)OC)cc1
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| InChI |
InChI=1S/C25H39ClO3/c1-3-4-7-11-24(27)20-15-13-19(14-16-20)21-17-18-23(26)22(21)10-8-5-6-9-12-25(28)29-2/h13-16,21-24,27H,3-12,17-18H2,1-2H3/t21-,22-,23-,24?/m1/s1
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| InChIKey |
FZGISGVMDPWVSQ-UYIVERNISA-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