General Information of the Compound
| Compound ID |
CP0518699
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| Compound Name |
(1R)-1-ethenyl-9-[(Z,3S)-3-hydroxydodec-4-en-1-ynyl]-6-methoxy-1,3-dihydrobenzo[f][2]benzofuran-7-ol
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| Structure |
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| Formula |
C27H32O4
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| Molecular Weight |
420.549
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| Canonical SMILES |
CCCCCCC\C=C/[C@H](O)C#Cc1c2[C@H](OCc2cc2cc(OC)c(O)cc12)C=C
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| InChI |
InChI=1S/C27H32O4/c1-4-6-7-8-9-10-11-12-21(28)13-14-22-23-17-24(29)26(30-3)16-19(23)15-20-18-31-25(5-2)27(20)22/h5,11-12,15-17,21,25,28-29H,2,4,6-10,18H2,1,3H3/b12-11-/t21-,25+/m0/s1
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| InChIKey |
NQXRXJUTUMEEQI-VPXVCDLISA-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