General Information of the Compound
| Compound ID |
CP0526631
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| Compound Name |
16-methoxy-14-oxapentacyclo[20.2.2.2^{10,13}.1^{15,19}.0^{2,7}]nonacosa-1(24),2(7),3,5,10,12,15,17,19(27),22,25,28-dodecaene
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| Structure |
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| Formula |
C29H26O2
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| Molecular Weight |
406.525
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| Canonical SMILES |
COc1ccc2CCc3ccc(cc3)-c3ccccc3CCc3ccc(Oc1c2)cc3
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| InChI |
InChI=1S/C29H26O2/c1-30-28-19-13-23-7-6-21-9-15-25(16-10-21)27-5-3-2-4-24(27)14-8-22-11-17-26(18-12-22)31-29(28)20-23/h2-5,9-13,15-20H,6-8,14H2,1H3
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| InChIKey |
KPPHKUBDCAKMJR-UHFFFAOYSA-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
Protein ID: PT01555, Oxysterols receptor LXR-alpha
Protein ID: PT01887, Oxysterols receptor LXR-beta