General Information of the Compound
| Compound ID |
CP0456089
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| Compound Name |
(3-phenylphenyl) N-[8-[3-[2-acetamidoethyl(methyl)amino]phenoxy]octyl]carbamate
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| Structure |
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| Formula |
C32H41N3O4
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| Molecular Weight |
531.697
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| Canonical SMILES |
CN(CCNC(C)=O)c1cccc(OCCCCCCCCNC(=O)Oc2cccc(c2)-c2ccccc2)c1
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| InChI |
InChI=1S/C32H41N3O4/c1-26(36)33-21-22-35(2)29-17-13-18-30(25-29)38-23-11-6-4-3-5-10-20-34-32(37)39-31-19-12-16-28(24-31)27-14-8-7-9-15-27/h7-9,12-19,24-25H,3-6,10-11,20-23H2,1-2H3,(H,33,36)(H,34,37)
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| InChIKey |
JZRWOLAQYNZKJE-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