General Information of the Compound
| Compound ID |
CP0848722
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| Compound Name |
(1'R,5alpha,6R,7R,14alpha)-1'-(3-methylphenyl)-1'-(4,5-epoxy-7,8-dihydro-3-hydroxy-6-methoxy-7beta-methyl 17-cyclopropylmethyl-6,14-etheno-morphinan-7-yl)-methan-1'-ol
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| Structure |
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| Formula |
C32H37NO4
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| Molecular Weight |
499.651
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| Canonical SMILES |
CO[C@]12C=C[C@@]3(C[C@]1(C)[C@H](O)c1cccc(C)c1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5
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| InChI |
InChI=1S/C32H37NO4/c1-19-5-4-6-22(15-19)27(35)29(2)18-30-11-12-32(29,36-3)28-31(30)13-14-33(17-20-7-8-20)24(30)16-21-9-10-23(34)26(37-28)25(21)31/h4-6,9-12,15,20,24,27-28,34-35H,7-8,13-14,16-18H2,1-3H3/t24-,27-,28-,29-,30-,31+,32+/m1/s1
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| InChIKey |
CSCPMNWYKRKRHS-XOSCKEEYSA-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
Protein ID: PT01360, Nociceptin receptor