General Information of the Compound
| Compound ID |
CP0443603
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| Compound Name |
N,N-dimethyl-1-[3-(4-pyrazin-2-ylpiperazin-1-yl)propanoyl]-2,3-dihydroindole-2-carboxamide
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| Structure |
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| Formula |
C22H28N6O2
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| Molecular Weight |
408.506
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| Canonical SMILES |
CN(C)C(=O)C1Cc2ccccc2N1C(=O)CCN1CCN(CC1)c1cnccn1
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| InChI |
InChI=1S/C22H28N6O2/c1-25(2)22(30)19-15-17-5-3-4-6-18(17)28(19)21(29)7-10-26-11-13-27(14-12-26)20-16-23-8-9-24-20/h3-6,8-9,16,19H,7,10-15H2,1-2H3
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| InChIKey |
OFZGHURYMRAVDK-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