General Information of the Compound
| Compound ID |
CP0856822
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| Compound Name |
methyl 7-((1R,2S,3R)-3-hydroxy-5-oxo-2-p-tolylcyclopentyl)heptanoate
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| Structure |
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| Formula |
C20H28O4
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| Molecular Weight |
332.44
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| Canonical SMILES |
COC(=O)CCCCCC[C@H]1C(=O)C[C@@H](O)[C@@H]1c1ccc(C)cc1
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| InChI |
InChI=1S/C20H28O4/c1-14-9-11-15(12-10-14)20-16(17(21)13-18(20)22)7-5-3-4-6-8-19(23)24-2/h9-12,16,18,20,22H,3-8,13H2,1-2H3/t16-,18+,20+/m0/s1
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| InChIKey |
PVXQLGVDQMQKID-ILZDJORESA-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