General Information of the Compound
| Compound ID |
CP0387590
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| Compound Name |
[3-(3-hydroxyphenyl)phenyl] N-[6-[3-[2-acetamidoethyl(methyl)amino]phenoxy]hexyl]carbamate
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| Structure |
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| Formula |
C30H37N3O5
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| Molecular Weight |
519.642
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| Canonical SMILES |
CN(CCNC(C)=O)c1cccc(OCCCCCCNC(=O)Oc2cccc(c2)-c2cccc(O)c2)c1
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| InChI |
InChI=1S/C30H37N3O5/c1-23(34)31-17-18-33(2)26-12-9-14-28(22-26)37-19-6-4-3-5-16-32-30(36)38-29-15-8-11-25(21-29)24-10-7-13-27(35)20-24/h7-15,20-22,35H,3-6,16-19H2,1-2H3,(H,31,34)(H,32,36)
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| InChIKey |
PJBYDQBSDFTWFK-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