General Information of the Compound
| Compound ID |
CP0668278
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| Compound Name |
17-Cyclopropylmethyl-3,14beta-dihydroxy-4,5alpha-epoxy-6beta-[(4'-iodo)benzamido]morphinan-oxalate
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| Structure |
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| Formula |
C29H31IN2O8
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| Molecular Weight |
662.477
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| Canonical SMILES |
O=C(N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1ccc(I)cc1.O=C(O)C(=O)O
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| InChI |
InChI=1S/C27H29IN2O4.C2H2O4/c28-18-6-3-16(4-7-18)25(32)29-19-9-10-27(33)21-13-17-5-8-20(31)23-22(17)26(27,24(19)34-23)11-12-30(21)14-15-1-2-15;3-1(4)2(5)6/h3-8,15,19,21,24,31,33H,1-2,9-14H2,(H,29,32);(H,3,4)(H,5,6)/t19-,21-,24+,26+,27-;/m1./s1
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| InChIKey |
OZVXEQBRWQTEAI-APVPXXETSA-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