General Information of the Compound
| Compound ID |
CP0402523
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| Compound Name |
6,7-Dihydro-4,5alpha-epoxy-5'-guanidinyl-17-methyl-3,14-dihydroxyindolo[2',3':6,7]morphinan
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| Structure |
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| Formula |
C24H25N5O3
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| Molecular Weight |
431.496
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| Canonical SMILES |
CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c4[nH]c2ccc(cc12)N=C(N)N)ccc5O
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| InChI |
InChI=1S/C24H25N5O3/c1-29-7-6-23-18-11-2-5-16(30)20(18)32-21(23)19-14(10-24(23,31)17(29)8-11)13-9-12(27-22(25)26)3-4-15(13)28-19/h2-5,9,17,21,28,30-31H,6-8,10H2,1H3,(H4,25,26,27)/t17?,21-,23-,24+/m0/s1
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| InChIKey |
YMNSASVAVCIKSU-DMJBVAGSSA-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