General Information of the Compound
| Compound ID |
CP0481417
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| Compound Name |
1-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propanoyl]-N,N-dimethyl-2,3-dihydroindole-2-carboxamide
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| Structure |
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| Formula |
C26H34N4O3
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| Molecular Weight |
450.583
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| Canonical SMILES |
CCOc1ccccc1N1CCN(CCC(=O)N2C(Cc3ccccc23)C(=O)N(C)C)CC1
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| InChI |
InChI=1S/C26H34N4O3/c1-4-33-24-12-8-7-11-22(24)29-17-15-28(16-18-29)14-13-25(31)30-21-10-6-5-9-20(21)19-23(30)26(32)27(2)3/h5-12,23H,4,13-19H2,1-3H3
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| InChIKey |
MKVOOZFINNRZBL-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: PT01515, Mu-type opioid receptor
Protein ID: PT01360, Nociceptin receptor