General Information of the Compound
| Compound ID |
CP0441035
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| Compound Name |
1-[3-(4-cyclohexylpiperazin-1-yl)propanoyl]-N,N-dimethyl-2,3-dihydroindole-2-carboxamide
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| Structure |
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| Formula |
C24H36N4O2
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| Molecular Weight |
412.578
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| Canonical SMILES |
CN(C)C(=O)C1Cc2ccccc2N1C(=O)CCN1CCN(CC1)C1CCCCC1
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| InChI |
InChI=1S/C24H36N4O2/c1-25(2)24(30)22-18-19-8-6-7-11-21(19)28(22)23(29)12-13-26-14-16-27(17-15-26)20-9-4-3-5-10-20/h6-8,11,20,22H,3-5,9-10,12-18H2,1-2H3
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| InChIKey |
QDOIYHZOXAUNKC-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