General Information of the Compound
| Compound ID |
CP0947233
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| Compound Name |
7-((1R,2R,5S)-2-chloro-5-(4-(1-hydroxyhexyl)phenyl)cyclopentyl)heptanoic acid
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| Structure |
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| Formula |
C24H37ClO3
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| Molecular Weight |
409.01
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| Canonical SMILES |
CCCCCC(O)c1ccc([C@H]2CC[C@@H](Cl)[C@@H]2CCCCCCC(=O)O)cc1
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| InChI |
InChI=1S/C24H37ClO3/c1-2-3-6-10-23(26)19-14-12-18(13-15-19)20-16-17-22(25)21(20)9-7-4-5-8-11-24(27)28/h12-15,20-23,26H,2-11,16-17H2,1H3,(H,27,28)/t20-,21-,22-,23?/m1/s1
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| InChIKey |
QCFMTQOBIWJRRE-YRNFEDNZSA-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