General Information of the Compound
| Compound ID |
CP0505602
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| Compound Name |
5'-(Dimethylamino)methyl-17-cyclopropylmethyl-6,7-didehydro-4,5alpha-epoxy-3,14-dihydroxyindolo[2',3':6,7]morphinan
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| Structure |
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| Formula |
C29H33N3O3
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| Molecular Weight |
471.601
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| Canonical SMILES |
CN(C)Cc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O
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| InChI |
InChI=1S/C29H33N3O3/c1-31(2)14-17-5-7-21-19(11-17)20-13-29(34)23-12-18-6-8-22(33)26-24(18)28(29,27(35-26)25(20)30-21)9-10-32(23)15-16-3-4-16/h5-8,11,16,23,27,30,33-34H,3-4,9-10,12-15H2,1-2H3/t23?,27-,28-,29+/m0/s1
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| InChIKey |
SPFMVQVYVXCFJS-PCYNRASCSA-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: PT01460, Kappa-type opioid receptor
Protein ID: PT01549, Mu-type opioid receptor