General Information of the Compound
| Compound ID |
CP0373460
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| Compound Name |
N-[2-[7-[4-[[3-(2-acetamidoethyl)-1H-indol-5-yl]oxy]butoxy]naphthalen-1-yl]ethyl]acetamide
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| Structure |
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| Formula |
C30H35N3O4
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| Molecular Weight |
501.627
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| Canonical SMILES |
CC(=O)NCCc1c[nH]c2ccc(OCCCCOc3ccc4cccc(CCNC(C)=O)c4c3)cc12
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| InChI |
InChI=1S/C30H35N3O4/c1-21(34)31-14-12-24-7-5-6-23-8-9-26(18-28(23)24)36-16-3-4-17-37-27-10-11-30-29(19-27)25(20-33-30)13-15-32-22(2)35/h5-11,18-20,33H,3-4,12-17H2,1-2H3,(H,31,34)(H,32,35)
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| InChIKey |
GNQUIGRVFLTMRQ-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: PT01843, Melatonin receptor type 1A
Protein ID: PT02174, Melatonin receptor type 1B