General Information of the Compound
| Compound ID |
CP0519315
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| Compound Name |
(1S,2S,6R,14R,15R,16R)-5-(cyclopropylmethyl)-11,15-dimethoxy-16-(4-pyrrolidin-1-ylphenyl)-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-triene
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| Structure |
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| Formula |
C34H42N2O3
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| Molecular Weight |
526.721
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| Canonical SMILES |
COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1c1ccc(cc1)N1CCCC1)OC
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| InChI |
InChI=1S/C34H42N2O3/c1-37-27-12-9-24-19-28-32-13-14-34(38-2,26(20-32)23-7-10-25(11-8-23)35-16-3-4-17-35)31-33(32,29(24)30(27)39-31)15-18-36(28)21-22-5-6-22/h7-12,22,26,28,31H,3-6,13-21H2,1-2H3/t26-,28-,31-,32-,33+,34-/m1/s1
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| InChIKey |
JBYAQPNKTKJVCP-DPODCYPTSA-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: PT00983, Kappa-type opioid receptor
Protein ID: PT01549, Mu-type opioid receptor