General Information of the Compound
| Compound ID |
CP0888287
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| Compound Name |
7-((1R,2S)-2-(4-(1-hydroxycyclobutyl)phenyl)-5-oxocyclopentyl)heptanoic acid
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| Structure |
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| Formula |
C22H30O4
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| Molecular Weight |
358.478
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| Canonical SMILES |
O=C(O)CCCCCC[C@H]1C(=O)CC[C@@H]1c1ccc(C2(O)CCC2)cc1
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| InChI |
InChI=1S/C22H30O4/c23-20-13-12-18(19(20)6-3-1-2-4-7-21(24)25)16-8-10-17(11-9-16)22(26)14-5-15-22/h8-11,18-19,26H,1-7,12-15H2,(H,24,25)/t18-,19-/m1/s1
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| InChIKey |
RDTODJSCWMCSID-RTBURBONSA-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