General Information of the Compound
| Compound ID |
CP0498934
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| Compound Name |
(S)-(2-hydroxy-6-methylphenyl)(2,3,5,7a-tetrahydro-1H-pyrrolizin-7-yl)methanone
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| Structure |
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| Formula |
C15H17NO2
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| Molecular Weight |
243.306
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| Canonical SMILES |
Cc1cccc(O)c1C(=O)C1=CCN2CCC[C@@H]12
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| InChI |
InChI=1S/C15H17NO2/c1-10-4-2-6-13(17)14(10)15(18)11-7-9-16-8-3-5-12(11)16/h2,4,6-7,12,17H,3,5,8-9H2,1H3/t12-/m0/s1
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| InChIKey |
ASMSNIHFROSTMQ-LBPRGKRZSA-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: PT01460, Kappa-type opioid receptor
Protein ID: PT01515, Mu-type opioid receptor