General Information of the Compound
| Compound ID |
CP0485713
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| Compound Name |
N-[(3S)-1-[2-(4-phenylbutyl)-1-benzofuran-4-yl]pyrrolidin-3-yl]propanamide
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| Structure |
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| Formula |
C25H30N2O2
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| Molecular Weight |
390.527
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| Canonical SMILES |
CCC(=O)N[C@H]1CCN(C1)c1cccc2oc(CCCCc3ccccc3)cc12
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| InChI |
InChI=1S/C25H30N2O2/c1-2-25(28)26-20-15-16-27(18-20)23-13-8-14-24-22(23)17-21(29-24)12-7-6-11-19-9-4-3-5-10-19/h3-5,8-10,13-14,17,20H,2,6-7,11-12,15-16,18H2,1H3,(H,26,28)/t20-/m0/s1
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| InChIKey |
DBRWICDHKUHROE-FQEVSTJZSA-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