General Information of the Compound
| Compound ID |
CP0411004
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| Compound Name |
(3-phenylphenyl) N-[6-[3-[2-acetamidoethyl(methyl)amino]phenoxy]hexyl]carbamate
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| Structure |
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| Formula |
C30H37N3O4
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| Molecular Weight |
503.643
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| Canonical SMILES |
CN(CCNC(C)=O)c1cccc(OCCCCCCNC(=O)Oc2cccc(c2)-c2ccccc2)c1
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| InChI |
InChI=1S/C30H37N3O4/c1-24(34)31-19-20-33(2)27-15-11-16-28(23-27)36-21-9-4-3-8-18-32-30(35)37-29-17-10-14-26(22-29)25-12-6-5-7-13-25/h5-7,10-17,22-23H,3-4,8-9,18-21H2,1-2H3,(H,31,34)(H,32,35)
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| InChIKey |
QDQHFTQKWCUPNI-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