General Information of the Compound
| Compound ID |
CP0411003
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| Compound Name |
(3-phenylphenyl) N-[4-[3-[2-acetamidoethyl(methyl)amino]phenoxy]butyl]carbamate
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| Structure |
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| Formula |
C28H33N3O4
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| Molecular Weight |
475.589
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| Canonical SMILES |
CN(CCNC(C)=O)c1cccc(OCCCCNC(=O)Oc2cccc(c2)-c2ccccc2)c1
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| InChI |
InChI=1S/C28H33N3O4/c1-22(32)29-17-18-31(2)25-13-9-14-26(21-25)34-19-7-6-16-30-28(33)35-27-15-8-12-24(20-27)23-10-4-3-5-11-23/h3-5,8-15,20-21H,6-7,16-19H2,1-2H3,(H,29,32)(H,30,33)
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| InChIKey |
ZIBOWZXDOOQHRW-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