General Information of the Compound
| Compound ID |
CP0387592
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| Compound Name |
(3-phenylphenyl) N-[6-[[3-(2-acetamidoethyl)-1H-indol-5-yl]oxy]hexyl]carbamate
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| Structure |
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| Formula |
C31H35N3O4
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| Molecular Weight |
513.638
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| Canonical SMILES |
CC(=O)NCCc1c[nH]c2ccc(OCCCCCCNC(=O)Oc3cccc(c3)-c3ccccc3)cc12
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| InChI |
InChI=1S/C31H35N3O4/c1-23(35)32-18-16-26-22-34-30-15-14-27(21-29(26)30)37-19-8-3-2-7-17-33-31(36)38-28-13-9-12-25(20-28)24-10-5-4-6-11-24/h4-6,9-15,20-22,34H,2-3,7-8,16-19H2,1H3,(H,32,35)(H,33,36)
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| InChIKey |
DNZLZYBBBDESQB-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