General Information of the Compound
| Compound ID |
CP0867160
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| Compound Name |
methyl 7-((1R,2S)-2-(4-(2-hydroxyhexyl)phenyl)-5-oxocyclopentyl)heptanoate
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| Structure |
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| Formula |
C25H38O4
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| Molecular Weight |
402.575
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| Canonical SMILES |
CCCCC(O)Cc1ccc([C@H]2CCC(=O)[C@@H]2CCCCCCC(=O)OC)cc1
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| InChI |
InChI=1S/C25H38O4/c1-3-4-9-21(26)18-19-12-14-20(15-13-19)22-16-17-24(27)23(22)10-7-5-6-8-11-25(28)29-2/h12-15,21-23,26H,3-11,16-18H2,1-2H3/t21?,22-,23-/m1/s1
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| InChIKey |
YPBWBYYYMUJPHT-XMCWYHTOSA-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