General Information of the Compound
| Compound ID |
CP0926227
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| Compound Name |
4,5,13,14-tetramethoxy-16,17-dimethyl-17-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2(7),3,5,12,14-pentaene
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| Structure |
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| Formula |
C22H27NO4
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| Molecular Weight |
369.461
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| Canonical SMILES |
COc1cc2c(cc1OC)[C@@H]1c3cc(OC)c(OC)cc3[C@@H](C2)N(C)[C@H]1C
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| InChI |
InChI=1S/C22H27NO4/c1-12-22-14-9-19(25-4)18(24-3)8-13(14)7-17(23(12)2)15-10-20(26-5)21(27-6)11-16(15)22/h8-12,17,22H,7H2,1-6H3/t12-,17+,22+/m0/s1
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| InChIKey |
KDHOOJMMEFSELE-UZWKXWHHSA-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