General Information of the Compound
| Compound ID |
CP0468610
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| Compound Name |
N,N'-bis(2-acetamidoethyl)-N,N'-bis(3-methoxyphenyl)hexanediamide
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| Structure |
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| Formula |
C28H38N4O6
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| Molecular Weight |
526.634
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| Canonical SMILES |
COc1cccc(c1)N(CCNC(C)=O)C(=O)CCCCC(=O)N(CCNC(C)=O)c1cccc(OC)c1
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| InChI |
InChI=1S/C28H38N4O6/c1-21(33)29-15-17-31(23-9-7-11-25(19-23)37-3)27(35)13-5-6-14-28(36)32(18-16-30-22(2)34)24-10-8-12-26(20-24)38-4/h7-12,19-20H,5-6,13-18H2,1-4H3,(H,29,33)(H,30,34)
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| InChIKey |
UYOBDANEOAVGCG-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