General Information of the Compound
| Compound ID |
CP0877597
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| Compound Name |
methyl 3-(7-oxo-7-(pyrrolidin-1-yl)heptyl)benzoate
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| Structure |
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| Formula |
C19H27NO3
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| Molecular Weight |
317.429
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| Canonical SMILES |
COC(=O)c1cccc(CCCCCCC(=O)N2CCCC2)c1
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| InChI |
InChI=1S/C19H27NO3/c1-23-19(22)17-11-8-10-16(15-17)9-4-2-3-5-12-18(21)20-13-6-7-14-20/h8,10-11,15H,2-7,9,12-14H2,1H3
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| InChIKey |
KPYKUIZLNOWWCP-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