General Information of the Compound
| Compound ID |
CP0913138
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| Compound Name |
17-Cyclopropylmethyl-3,14beta-dihydroxy-4,5alpha-epoxy-6alpha-[(2'-(imidazolylcarboxamido)morphinan
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| Structure |
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| Formula |
C24H28N4O4
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| Molecular Weight |
436.512
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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)c1ncc[nH]1
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| InChI |
InChI=1S/C24H28N4O4/c29-16-4-3-14-11-17-24(31)6-5-15(27-22(30)21-25-8-9-26-21)20-23(24,18(14)19(16)32-20)7-10-28(17)12-13-1-2-13/h3-4,8-9,13,15,17,20,29,31H,1-2,5-7,10-12H2,(H,25,26)(H,27,30)/t15-,17+,20-,23-,24+/m0/s1
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| InChIKey |
IKBLTXGEZQHUJB-AWLXNZOLSA-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: PT02264, Kappa-type opioid receptor
Protein ID: PT02699, Mu-type opioid receptor