General Information of the Compound
| Compound ID |
CP0740732
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| Compound Name |
3-(Cyclopropyl-phenyl-methyl)-2,5,6,7,8,9,10,11-octahydro-cyclonona[b]pyran-4-ol
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| Structure |
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| Formula |
C22H28O2
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| Molecular Weight |
324.464
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| Canonical SMILES |
OC1=C(C(c2ccccc2)C2CC2)COC2=C1CCCCCCC2
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| InChI |
InChI=1S/C22H28O2/c23-22-18-11-7-2-1-3-8-12-20(18)24-15-19(22)21(17-13-14-17)16-9-5-4-6-10-16/h4-6,9-10,17,21,23H,1-3,7-8,11-15H2
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| InChIKey |
PCZCQSPJMSSYBP-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