General Information of the Compound
| Compound ID |
CP0430067
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| Compound Name |
2-methyl-N-[(3S)-1-[2-(4-phenylbutyl)-1-benzofuran-4-yl]pyrrolidin-3-yl]propanamide
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| Structure |
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| Formula |
C26H32N2O2
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| Molecular Weight |
404.554
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| Canonical SMILES |
CC(C)C(=O)N[C@H]1CCN(C1)c1cccc2oc(CCCCc3ccccc3)cc12
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| InChI |
InChI=1S/C26H32N2O2/c1-19(2)26(29)27-21-15-16-28(18-21)24-13-8-14-25-23(24)17-22(30-25)12-7-6-11-20-9-4-3-5-10-20/h3-5,8-10,13-14,17,19,21H,6-7,11-12,15-16,18H2,1-2H3,(H,27,29)/t21-/m0/s1
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| InChIKey |
NMPUABCQTOQJFP-NRFANRHFSA-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