General Information of the Compound
| Compound ID |
CP0441036
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| Compound Name |
(2S)-1-[3-[4-(4-fluoro-2-methylphenyl)piperidin-1-yl]propanoyl]-N,N-dimethyl-2,3-dihydroindole-2-carboxamide
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| Structure |
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| Formula |
C26H32FN3O2
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| Molecular Weight |
437.559
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| Canonical SMILES |
CN(C)C(=O)[C@@H]1Cc2ccccc2N1C(=O)CCN1CCC(CC1)c1ccc(F)cc1C
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| InChI |
InChI=1S/C26H32FN3O2/c1-18-16-21(27)8-9-22(18)19-10-13-29(14-11-19)15-12-25(31)30-23-7-5-4-6-20(23)17-24(30)26(32)28(2)3/h4-9,16,19,24H,10-15,17H2,1-3H3/t24-/m0/s1
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| InChIKey |
YIGZXFZQVJODJZ-DEOSSOPVSA-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