General Information of the Compound
| Compound ID |
CP0456090
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| Compound Name |
[3-(3-carbamoylphenyl)phenyl] N-[6-[3-[2-acetamidoethyl(methyl)amino]phenoxy]hexyl]carbamate
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| Structure |
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| Formula |
C31H38N4O5
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| Molecular Weight |
546.668
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| Canonical SMILES |
CN(CCNC(C)=O)c1cccc(OCCCCCCNC(=O)Oc2cccc(c2)-c2cccc(c2)C(N)=O)c1
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| InChI |
InChI=1S/C31H38N4O5/c1-23(36)33-17-18-35(2)27-13-9-14-28(22-27)39-19-6-4-3-5-16-34-31(38)40-29-15-8-11-25(21-29)24-10-7-12-26(20-24)30(32)37/h7-15,20-22H,3-6,16-19H2,1-2H3,(H2,32,37)(H,33,36)(H,34,38)
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| InChIKey |
VQNYVHZTODZLPB-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