General Information of the Compound
| Compound ID |
CP0863766
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| Compound Name |
methyl 7-((1R,2S,3R,5R)-5-chloro-3-hydroxy-2-(4-(1-hydroxycyclobutyl)phenyl)cyclopentyl)hept-5-enoate
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| Structure |
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| Formula |
C23H31ClO4
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| Molecular Weight |
406.95
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| Canonical SMILES |
COC(=O)CCC/C=C\C[C@@H]1[C@@H](c2ccc(C3(O)CCC3)cc2)[C@H](O)C[C@H]1Cl
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| InChI |
InChI=1S/C23H31ClO4/c1-28-21(26)8-5-3-2-4-7-18-19(24)15-20(25)22(18)16-9-11-17(12-10-16)23(27)13-6-14-23/h2,4,9-12,18-20,22,25,27H,3,5-8,13-15H2,1H3/b4-2-/t18-,19+,20+,22+/m0/s1
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| InChIKey |
ZDYORXDJNMUWCL-BCMUVELESA-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