General Information of the Compound
| Compound ID |
CP0448745
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| Compound Name |
9-(3-(2-acetamidoethyl)-5-methoxy-1H-indole-2-carbonyloxy)nonyl 3-(2-acetamidoethyl)-5-methoxy-1Hindole-2-carboxylate
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| Structure |
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| Formula |
C37H48N4O8
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| Molecular Weight |
676.811
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| Canonical SMILES |
COc1ccc2[nH]c(C(=O)OCCCCCCCCCOC(=O)c3[nH]c4ccc(OC)cc4c3CCNC(C)=O)c(CCNC(C)=O)c2c1
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| InChI |
InChI=1S/C37H48N4O8/c1-24(42)38-18-16-28-30-22-26(46-3)12-14-32(30)40-34(28)36(44)48-20-10-8-6-5-7-9-11-21-49-37(45)35-29(17-19-39-25(2)43)31-23-27(47-4)13-15-33(31)41-35/h12-15,22-23,40-41H,5-11,16-21H2,1-4H3,(H,38,42)(H,39,43)
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| InChIKey |
ZVKRWCLJXKVUHA-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