General Information of the Compound
| Compound ID |
CP0856829
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| Compound Name |
methyl 7-((1R,2S)-2-(3-((R)-hydroxy(1-propylcyclobutyl)methyl)phenyl)-5-oxocyclopentyl)hept-5-enoate
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| Structure |
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| Formula |
C27H38O4
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| Molecular Weight |
426.597
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| Canonical SMILES |
CCCC1([C@@H](O)c2cccc([C@H]3CCC(=O)[C@@H]3C/C=C\CCCC(=O)OC)c2)CCC1
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| InChI |
InChI=1S/C27H38O4/c1-3-16-27(17-9-18-27)26(30)21-11-8-10-20(19-21)22-14-15-24(28)23(22)12-6-4-5-7-13-25(29)31-2/h4,6,8,10-11,19,22-23,26,30H,3,5,7,9,12-18H2,1-2H3/b6-4-/t22-,23-,26+/m1/s1
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| InChIKey |
JZCLXOPFWAABCG-QIDUYIHQSA-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