General Information of the Compound
| Compound ID |
CP0477074
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| Compound Name |
N-[(3S)-1-(2,3-dihydro-1-benzofuran-4-yl)pyrrolidin-3-yl]acetamide
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| Structure |
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| Formula |
C14H18N2O2
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| Molecular Weight |
246.31
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| Canonical SMILES |
CC(=O)N[C@H]1CCN(C1)c1cccc2OCCc12
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| InChI |
InChI=1S/C14H18N2O2/c1-10(17)15-11-5-7-16(9-11)13-3-2-4-14-12(13)6-8-18-14/h2-4,11H,5-9H2,1H3,(H,15,17)/t11-/m0/s1
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| InChIKey |
FSSZVYLSEYZOSN-NSHDSACASA-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: PT01843, Melatonin receptor type 1A
Protein ID: PT02174, Melatonin receptor type 1B