General Information of the Compound
| Compound ID |
CP0879871
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| Compound Name |
17-cyclopropylmethyl-4,5,12,13-tetramethoxy-16-methyl-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 |
C25H31NO4
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| Molecular Weight |
409.526
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| Canonical SMILES |
COc1cc2c(cc1OC)[C@H]1c3cc(OC)c(OC)cc3[C@H](C2)N(CC2CC2)[C@@H]1C
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| InChI |
InChI=1S/C25H31NO4/c1-14-25-17-10-22(28-3)21(27-2)9-16(17)8-20(26(14)13-15-6-7-15)18-11-23(29-4)24(30-5)12-19(18)25/h9-12,14-15,20,25H,6-8,13H2,1-5H3/t14-,20+,25+/m1/s1
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| InChIKey |
XGGFHAWXBHYJDK-VZYSNPOVSA-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