General Information of the Compound
| Compound ID |
CP0485714
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| Compound Name |
N-[(3S)-1-[2-(4-phenylbutyl)-1-benzofuran-4-yl]pyrrolidin-3-yl]cyclopropanecarboxamide
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| Structure |
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| Formula |
C26H30N2O2
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| Molecular Weight |
402.538
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| Canonical SMILES |
O=C(N[C@H]1CCN(C1)c1cccc2oc(CCCCc3ccccc3)cc12)C1CC1
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| InChI |
InChI=1S/C26H30N2O2/c29-26(20-13-14-20)27-21-15-16-28(18-21)24-11-6-12-25-23(24)17-22(30-25)10-5-4-9-19-7-2-1-3-8-19/h1-3,6-8,11-12,17,20-21H,4-5,9-10,13-16,18H2,(H,27,29)/t21-/m0/s1
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| InChIKey |
CZEDTICJPZBTEN-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