General Information of the Compound
| Compound ID |
CP0431978
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| Compound Name |
N,N'-bis[2-(5-methoxy-1H-indol-3-yl)ethyl]heptanediamide
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| Structure |
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| Formula |
C29H36N4O4
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| Molecular Weight |
504.631
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| Canonical SMILES |
COc1ccc2[nH]cc(CCNC(=O)CCCCCC(=O)NCCc3c[nH]c4ccc(OC)cc34)c2c1
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| InChI |
InChI=1S/C29H36N4O4/c1-36-22-8-10-26-24(16-22)20(18-32-26)12-14-30-28(34)6-4-3-5-7-29(35)31-15-13-21-19-33-27-11-9-23(37-2)17-25(21)27/h8-11,16-19,32-33H,3-7,12-15H2,1-2H3,(H,30,34)(H,31,35)
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| InChIKey |
DJSZETHZOHXEBC-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