General Information of the Compound
| Compound ID |
CP0400713
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| Compound Name |
N-[2-[7-[4-[8-(2-acetamidoethyl)naphthalen-2-yl]oxybutoxy]naphthalen-1-yl]ethyl]cyclopropanecarboxamide
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| Structure |
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| Formula |
C34H38N2O4
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| Molecular Weight |
538.688
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| Canonical SMILES |
CC(=O)NCCc1cccc2ccc(OCCCCOc3ccc4cccc(CCNC(=O)C5CC5)c4c3)cc12
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| InChI |
InChI=1S/C34H38N2O4/c1-24(37)35-18-16-27-8-4-6-25-12-14-30(22-32(25)27)39-20-2-3-21-40-31-15-13-26-7-5-9-28(33(26)23-31)17-19-36-34(38)29-10-11-29/h4-9,12-15,22-23,29H,2-3,10-11,16-21H2,1H3,(H,35,37)(H,36,38)
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| InChIKey |
QPAZQLWMHNVGQU-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