General Information of the Compound
| Compound ID |
CP0452455
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| Compound Name |
(1S,14R,15S,16R,17R)-5-chloro-4-[(4-ethylphenyl)methyl]-8,12,18-trioxatricyclo[12.3.1.02,7]octadeca-2(7),3,5-triene-15,16,17-triol
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| Structure |
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| Formula |
C24H29ClO6
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| Molecular Weight |
448.943
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| Canonical SMILES |
CCc1ccc(Cc2cc3[C@@H]4O[C@H](COCCCOc3cc2Cl)[C@@H](O)[C@H](O)[C@H]4O)cc1
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| InChI |
InChI=1S/C24H29ClO6/c1-2-14-4-6-15(7-5-14)10-16-11-17-19(12-18(16)25)30-9-3-8-29-13-20-21(26)22(27)23(28)24(17)31-20/h4-7,11-12,20-24,26-28H,2-3,8-10,13H2,1H3/t20-,21-,22+,23-,24+/m1/s1
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| InChIKey |
PDAOQPMSSRNEMS-SJSRKZJXSA-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