General Information of the Compound
| Compound ID |
CP0410971
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| Compound Name |
[3-[4-[3-[2-acetamidoethyl(methyl)amino]phenoxy]butoxy]phenyl] N-cyclohexylcarbamate
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| Structure |
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| Formula |
C28H39N3O5
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| Molecular Weight |
497.636
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| Canonical SMILES |
CN(CCNC(C)=O)c1cccc(OCCCCOc2cccc(OC(=O)NC3CCCCC3)c2)c1
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| InChI |
InChI=1S/C28H39N3O5/c1-22(32)29-16-17-31(2)24-12-8-13-25(20-24)34-18-6-7-19-35-26-14-9-15-27(21-26)36-28(33)30-23-10-4-3-5-11-23/h8-9,12-15,20-21,23H,3-7,10-11,16-19H2,1-2H3,(H,29,32)(H,30,33)
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| InChIKey |
OCEUCJGTTVXWOP-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