General Information of the Compound
| Compound ID |
CP0687918
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| Compound Name |
3-(Cyclopropyl-phenyl-methyl)-4-hydroxy-11-propyl-6,7,8,9,10,11-hexahydro-5H-cyclonona[b]pyran-2-one
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| Formula |
C25H32O3
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| Molecular Weight |
380.528
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| Canonical SMILES |
CCCC1CCCCCCc2c1oc(O)c(C(c1ccccc1)C1CC1)c2=O
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| InChI |
InChI=1S/C25H32O3/c1-2-10-19-13-6-3-4-9-14-20-23(26)22(25(27)28-24(19)20)21(18-15-16-18)17-11-7-5-8-12-17/h5,7-8,11-12,18-19,21,27H,2-4,6,9-10,13-16H2,1H3
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| InChIKey |
QJNDYLJONRXWLQ-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