General Information of the Compound
| Compound ID |
CP0412499
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| Compound Name |
US9175000, 6
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| Structure |
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| Formula |
C34H43NO6
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| Molecular Weight |
561.719
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| Canonical SMILES |
COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1[C@](O)(CC(O)CO)c1ccccc1)OC
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| InChI |
InChI=1S/C34H43NO6/c1-39-25-11-10-22-16-27-31-12-13-34(40-2,26(18-31)33(38,17-24(37)20-36)23-6-4-3-5-7-23)30-32(31,28(22)29(25)41-30)14-15-35(27)19-21-8-9-21/h3-7,10-11,21,24,26-27,30,36-38H,8-9,12-20H2,1-2H3/t24?,26-,27-,30-,31-,32+,33+,34-/m1/s1
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| InChIKey |
CNTAUNWPRVDTGK-RQFDAPRJSA-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