General Information of the Compound
| Compound ID |
CP0458245
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| Compound Name |
1-[3-(4-benzylpiperazin-1-yl)propanoyl]-N,N-dimethyl-2,3-dihydroindole-2-carboxamide
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| Structure |
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| Formula |
C25H32N4O2
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| Molecular Weight |
420.557
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| Canonical SMILES |
CN(C)C(=O)C1Cc2ccccc2N1C(=O)CCN1CCN(Cc2ccccc2)CC1
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| InChI |
InChI=1S/C25H32N4O2/c1-26(2)25(31)23-18-21-10-6-7-11-22(21)29(23)24(30)12-13-27-14-16-28(17-15-27)19-20-8-4-3-5-9-20/h3-11,23H,12-19H2,1-2H3
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| InChIKey |
VKUBGIAJWSIUDT-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