General Information of the Compound
| Compound ID |
CP0529224
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| Compound Name |
(3-phenylphenyl) N-[8-[[3-(2-acetamidoethyl)-1H-indol-5-yl]oxy]octyl]carbamate
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| Structure |
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| Formula |
C33H39N3O4
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| Molecular Weight |
541.692
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| Canonical SMILES |
CC(=O)NCCc1c[nH]c2ccc(OCCCCCCCCNC(=O)Oc3cccc(c3)-c3ccccc3)cc12
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| InChI |
InChI=1S/C33H39N3O4/c1-25(37)34-20-18-28-24-36-32-17-16-29(23-31(28)32)39-21-10-5-3-2-4-9-19-35-33(38)40-30-15-11-14-27(22-30)26-12-7-6-8-13-26/h6-8,11-17,22-24,36H,2-5,9-10,18-21H2,1H3,(H,34,37)(H,35,38)
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| InChIKey |
ULYDWWCBMGZSOG-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