General Information of the Compound
| Compound ID |
CP0948236
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| Compound Name |
5-(benzo[d][1,3]dioxol-5-yl)-1-(pyrrolidin-1-yl)pentan-1-one
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| Structure |
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| Formula |
C16H21NO3
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| Molecular Weight |
275.348
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| Canonical SMILES |
O=C(CCCCc1ccc2c(c1)OCO2)N1CCCC1
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| InChI |
InChI=1S/C16H21NO3/c18-16(17-9-3-4-10-17)6-2-1-5-13-7-8-14-15(11-13)20-12-19-14/h7-8,11H,1-6,9-10,12H2
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| InChIKey |
SUUYFWPFLGFWRW-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
Protein ID: PT00961, Fatty-acid amide hydrolase 1
Protein ID: PT03010, N-acylethanolamine-hydrolyzing acid amidase