General Information of the Compound
| Compound ID |
CP0387589
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| Compound Name |
[3-[6-[3-[2-acetamidoethyl(methyl)amino]phenoxy]hexoxy]phenyl] N-cyclohexylcarbamate
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| Structure |
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| Formula |
C30H43N3O5
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| Molecular Weight |
525.69
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| Canonical SMILES |
CN(CCNC(C)=O)c1cccc(OCCCCCCOc2cccc(OC(=O)NC3CCCCC3)c2)c1
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| InChI |
InChI=1S/C30H43N3O5/c1-24(34)31-18-19-33(2)26-14-10-15-27(22-26)36-20-8-3-4-9-21-37-28-16-11-17-29(23-28)38-30(35)32-25-12-6-5-7-13-25/h10-11,14-17,22-23,25H,3-9,12-13,18-21H2,1-2H3,(H,31,34)(H,32,35)
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| InChIKey |
KCUHFUCEFBESAA-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