General Information of the Compound
| Compound ID |
CP0379341
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| Compound Name |
(1R,2S,6R,14R,15S,19R)-15-(2-fluoroethoxy)-19-[(2S)-2-hydroxy-4-phenylbutan-2-yl]-5-methyl-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11,16-tetraen-11-ol
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| Structure |
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| Formula |
C31H36FNO4
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| Molecular Weight |
505.63
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| Canonical SMILES |
CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@]31C[C@H]([C@@](C)(O)CCc2ccccc2)[C@@]4(OCCF)C=C1)ccc5O
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| InChI |
InChI=1S/C31H36FNO4/c1-28(35,11-10-20-6-4-3-5-7-20)23-19-29-12-13-31(23,36-17-15-32)27-30(29)14-16-33(2)24(29)18-21-8-9-22(34)26(37-27)25(21)30/h3-9,12-13,23-24,27,34-35H,10-11,14-19H2,1-2H3/t23-,24-,27-,28+,29-,30+,31+/m1/s1
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| InChIKey |
ROMGPBJZBHIHQL-AVDVSKEWSA-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