General Information of the Compound
| Compound ID |
CP0441047
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| Compound Name |
(2S)-N,N-dimethyl-1-[3-(8-phenyl-3-azabicyclo[3.2.1]octan-3-yl)propanoyl]-2,3-dihydroindole-2-carboxamide
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| Structure |
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| Formula |
C27H33N3O2
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| Molecular Weight |
431.58
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| Canonical SMILES |
CN(C)C(=O)[C@@H]1Cc2ccccc2N1C(=O)CCN1CC2CCC(C1)C2c1ccccc1
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| InChI |
InChI=1S/C27H33N3O2/c1-28(2)27(32)24-16-20-10-6-7-11-23(20)30(24)25(31)14-15-29-17-21-12-13-22(18-29)26(21)19-8-4-3-5-9-19/h3-11,21-22,24,26H,12-18H2,1-2H3/t21?,22?,24-,26?/m0/s1
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| InChIKey |
IYSMJBGHLSXASL-QOQGVKGKSA-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