General Information of the Compound
| Compound ID |
CP0450716
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| Compound Name |
4-[[4-[(1S,2S,6R,14R,15R,16R)-5-(cyclopropylmethyl)-11,15-dimethoxy-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-trien-16-yl]phenyl]diazenyl]phenol
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| Formula |
C36H39N3O4
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| Molecular Weight |
577.725
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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)\N=N\c1ccc(O)cc1)OC
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| InChI |
InChI=1S/C36H39N3O4/c1-41-29-14-7-24-19-30-34-15-16-36(42-2,33-35(34,31(24)32(29)43-33)17-18-39(30)21-22-3-4-22)28(20-34)23-5-8-25(9-6-23)37-38-26-10-12-27(40)13-11-26/h5-14,22,28,30,33,40H,3-4,15-21H2,1-2H3/b38-37+/t28-,30-,33-,34-,35+,36-/m1/s1
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| InChIKey |
KJSFZUPGBASZMX-TWLOIDJHSA-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