General Information of the Compound
| Compound ID |
CP0870134
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| Compound Name |
10-methoxy-17-(3-phenylpropoxy)-4-tetrahydro-2-furanylmethyl-(13R,17S)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7,9,11(18)-trien-14-one
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| Structure |
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| Formula |
C31H37NO5
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| Molecular Weight |
503.639
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| Canonical SMILES |
COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(OCCCc5ccccc5)[C@@H](C2)N(CC2CCCO2)CC[C@]314
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| InChI |
InChI=1S/C31H37NO5/c1-34-25-12-11-22-19-26-31(36-18-5-9-21-7-3-2-4-8-21)14-13-24(33)29-30(31,27(22)28(25)37-29)15-16-32(26)20-23-10-6-17-35-23/h2-4,7-8,11-12,23,26,29H,5-6,9-10,13-20H2,1H3/t23?,26-,29+,30+,31-/m1/s1
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| InChIKey |
JYPQIBMWBJBMFO-PNBMQISFSA-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: PT01526, Delta-type opioid receptor
Protein ID: PT00983, Kappa-type opioid receptor
Protein ID: PT01549, Mu-type opioid receptor