General Information of the Compound
| Compound ID |
CP0877598
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| Compound Name |
7-(3-methoxyphenyl)-1-(pyrrolidin-1-yl)heptan-1-one
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| Structure |
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| Formula |
C18H27NO2
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| Molecular Weight |
289.419
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| Canonical SMILES |
COc1cccc(CCCCCCC(=O)N2CCCC2)c1
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| InChI |
InChI=1S/C18H27NO2/c1-21-17-11-8-10-16(15-17)9-4-2-3-5-12-18(20)19-13-6-7-14-19/h8,10-11,15H,2-7,9,12-14H2,1H3
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| InChIKey |
VXOXAQBFTNGRDN-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