General Information of the Compound
| Compound ID |
CP0096802
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| Compound Name |
20-{4-[2-(piperidin-1-yl)ethoxy]phenyl}-8,19-dioxatetracyclo[10.8.0.0^{2,7}.0^{13,18}]icosa-1(12),2(7),3,5,13,15,17-heptaene-5,16-diol
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| Structure |
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| Formula |
C31H33NO5
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| Molecular Weight |
499.607
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| Canonical SMILES |
Oc1ccc2C3=C(C(Oc2c1)c1ccc(OCCN2CCCCC2)cc1)c1ccc(O)cc1OCCC3
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| InChI |
InChI=1S/C31H33NO5/c33-22-9-13-27-28(19-22)36-17-4-5-26-25-12-8-23(34)20-29(25)37-31(30(26)27)21-6-10-24(11-7-21)35-18-16-32-14-2-1-3-15-32/h6-13,19-20,31,33-34H,1-5,14-18H2
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| InChIKey |
OIQSBYJZYXZTOT-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