General Information of the Compound
| Compound ID |
CP0426771
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| Compound Name |
(1S,2S,10R,18R)-8-benzyl-19-(cyclopropylmethyl)-2,13-dihydroxy-11-oxa-8,19-diazahexacyclo[10.9.1.01,10.02,18.04,9.016,22]docosa-4(9),12,14,16(22)-tetraen-7-one
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| Structure |
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| Formula |
C30H32N2O4
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| Molecular Weight |
484.596
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| Canonical SMILES |
Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C1=C(CCC(=O)N1Cc1ccccc1)C[C@@]35O
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| InChI |
InChI=1S/C30H32N2O4/c33-22-10-8-20-14-23-30(35)15-21-9-11-24(34)32(17-18-4-2-1-3-5-18)26(21)28-29(30,25(20)27(22)36-28)12-13-31(23)16-19-6-7-19/h1-5,8,10,19,23,28,33,35H,6-7,9,11-17H2/t23-,28+,29+,30-/m1/s1
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| InChIKey |
GTAWNDHRLYTFLJ-UJLGHMMASA-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
Protein ID: PT01360, Nociceptin receptor