General Information of the Compound
| Compound ID |
CP0532474
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| Compound Name |
5Z-(9S,11R,15S)-13-Oxa-16-(3-chloro)phenoxy-propoxy]-9,11,15-trihydroxy-17,18,19,20-tetranor-5-prostadienoic acid
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| Structure |
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| Formula |
C21H29ClO7
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| Molecular Weight |
428.909
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| Canonical SMILES |
O[C@@H](CO[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O)COc1cccc(Cl)c1
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| InChI |
InChI=1S/C21H29ClO7/c22-14-6-5-7-16(10-14)28-12-15(23)13-29-21-17(18(24)11-19(21)25)8-3-1-2-4-9-20(26)27/h1,3,5-7,10,15,17-19,21,23-25H,2,4,8-9,11-13H2,(H,26,27)/b3-1-/t15-,17+,18+,19-,21-/m1/s1
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| InChIKey |
HKIVGBPAUZBIOJ-DSZRGWOWSA-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