General Information of the Compound
| Compound ID |
CP0436792
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| Compound Name |
7-(3-(2-acetamidoethyl)-5-methoxy-1H-indole-2-carbonyloxy)heptyl 3-(2-acetamidoethyl)-5-methoxy-1Hindole-2-carboxylate
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| Structure |
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| Formula |
C35H44N4O8
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| Molecular Weight |
648.757
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| Canonical SMILES |
COc1ccc2[nH]c(C(=O)OCCCCCCCOC(=O)c3[nH]c4ccc(OC)cc4c3CCNC(C)=O)c(CCNC(C)=O)c2c1
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| InChI |
InChI=1S/C35H44N4O8/c1-22(40)36-16-14-26-28-20-24(44-3)10-12-30(28)38-32(26)34(42)46-18-8-6-5-7-9-19-47-35(43)33-27(15-17-37-23(2)41)29-21-25(45-4)11-13-31(29)39-33/h10-13,20-21,38-39H,5-9,14-19H2,1-4H3,(H,36,40)(H,37,41)
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| InChIKey |
TYCNNHYQIMKBSE-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