General Information of the Compound
| Compound ID |
CP0863099
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| Compound Name |
2-(4-((2S,3R,5R)-5-chloro-2-(4-(cyclohexyl(hydroxy)methyl)phenyl)-3-hydroxycyclopentyl)but-2-ynyloxy)acetic acid
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| Structure |
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| Formula |
C24H31ClO5
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| Molecular Weight |
434.96
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| Canonical SMILES |
O=C(O)COCC#CCC1[C@H](Cl)C[C@@H](O)[C@@H]1c1ccc(C(O)C2CCCCC2)cc1
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| InChI |
InChI=1S/C24H31ClO5/c25-20-14-21(26)23(19(20)8-4-5-13-30-15-22(27)28)16-9-11-18(12-10-16)24(29)17-6-2-1-3-7-17/h9-12,17,19-21,23-24,26,29H,1-3,6-8,13-15H2,(H,27,28)/t19?,20-,21-,23-,24?/m1/s1
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| InChIKey |
PCQSXENKHCECGM-CMLONGDFSA-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