General Information of the Compound
| Compound ID |
CP0387593
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| Compound Name |
(3-phenylphenyl) N-[6-[3-[methyl-[2-(propanoylamino)ethyl]amino]phenoxy]hexyl]carbamate
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| Structure |
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| Formula |
C31H39N3O4
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| Molecular Weight |
517.67
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| Canonical SMILES |
CCC(=O)NCCN(C)c1cccc(OCCCCCCNC(=O)Oc2cccc(c2)-c2ccccc2)c1
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| InChI |
InChI=1S/C31H39N3O4/c1-3-30(35)32-20-21-34(2)27-16-12-17-28(24-27)37-22-10-5-4-9-19-33-31(36)38-29-18-11-15-26(23-29)25-13-7-6-8-14-25/h6-8,11-18,23-24H,3-5,9-10,19-22H2,1-2H3,(H,32,35)(H,33,36)
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| InChIKey |
HRPRHODXCKRENT-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