General Information of the Compound
| Compound ID |
CP0489871
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| Compound Name |
N,N-dimethyl-1-[3-(4-pentan-3-ylpiperazin-1-yl)propanoyl]-2,3-dihydroindole-2-carboxamide
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| Structure |
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| Formula |
C23H36N4O2
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| Molecular Weight |
400.567
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| Canonical SMILES |
CCC(CC)N1CCN(CCC(=O)N2C(Cc3ccccc23)C(=O)N(C)C)CC1
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| InChI |
InChI=1S/C23H36N4O2/c1-5-19(6-2)26-15-13-25(14-16-26)12-11-22(28)27-20-10-8-7-9-18(20)17-21(27)23(29)24(3)4/h7-10,19,21H,5-6,11-17H2,1-4H3
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| InChIKey |
QKJYFMUAABTWKZ-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