General Information of the Compound
| Compound ID |
CP0668279
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| Compound Name |
17-Cyclopropylmethyl-3,14beta-dihydroxy-4,5alpha-epoxy-6beta-[(4'-methyl)benzamido]morphinan-oxalate
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| Structure |
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| Formula |
C30H34N2O8
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| Molecular Weight |
550.608
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| Canonical SMILES |
Cc1ccc(C(=O)N[C@@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4CC3CC3)[C@H]2O6)cc1.O=C(O)C(=O)O
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| InChI |
InChI=1S/C28H32N2O4.C2H2O4/c1-16-2-6-18(7-3-16)26(32)29-20-10-11-28(33)22-14-19-8-9-21(31)24-23(19)27(28,25(20)34-24)12-13-30(22)15-17-4-5-17;3-1(4)2(5)6/h2-3,6-9,17,20,22,25,31,33H,4-5,10-15H2,1H3,(H,29,32);(H,3,4)(H,5,6)/t20-,22-,25+,27+,28-;/m1./s1
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| InChIKey |
KDTKBOMJHUSXPY-OTYZVKEYSA-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: PT01200, Delta-type opioid receptor
Protein ID: PT00983, Kappa-type opioid receptor
Protein ID: PT01515, Mu-type opioid receptor
Protein ID: PT01360, Nociceptin receptor