General Information of the Compound
| Compound ID |
CP0449966
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| Compound Name |
US9175000, 13
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| Structure |
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| Formula |
C34H42N2O5
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| Molecular Weight |
558.719
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| Canonical SMILES |
COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1C(NC(C)C(O)=O)c1ccccc1)OC
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| InChI |
InChI=1S/C34H42N2O5/c1-20(30(37)38)35-28(22-7-5-4-6-8-22)24-18-32-13-14-34(24,40-3)31-33(32)15-16-36(19-21-9-10-21)26(32)17-23-11-12-25(39-2)29(41-31)27(23)33/h4-8,11-12,20-21,24,26,28,31,35H,9-10,13-19H2,1-3H3,(H,37,38)/t20?,24-,26-,28?,31-,32-,33+,34-/m1/s1
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| InChIKey |
MKBWEYZOBNUWHB-PHNVCRLRSA-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: PT00983, Kappa-type opioid receptor
Protein ID: PT01515, Mu-type opioid receptor