General Information of the Compound
| Compound ID |
CP0969080
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| Compound Name |
7-(3-propylphenyl)-1-(pyrrolidin-1-yl)heptan-1-one
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| Structure |
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| Formula |
C20H31NO
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| Molecular Weight |
301.474
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| Canonical SMILES |
CCCc1cccc(CCCCCCC(=O)N2CCCC2)c1
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| InChI |
InChI=1S/C20H31NO/c1-2-10-18-12-9-13-19(17-18)11-5-3-4-6-14-20(22)21-15-7-8-16-21/h9,12-13,17H,2-8,10-11,14-16H2,1H3
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| InChIKey |
PGDAQOCXEFRJRU-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