General Information of the Compound
| Compound ID |
CP0350878
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| Compound Name |
CHEMBL1224216
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| Formula |
C21H23FN2O2
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| Molecular Weight |
354.425
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| Canonical SMILES |
NC(=O)c1ccc(O[C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c(F)c1
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| InChI |
InChI=1S/C21H23FN2O2/c22-19-10-15(21(23)25)6-9-20(19)26-18-11-16-7-8-17(12-18)24(16)13-14-4-2-1-3-5-14/h1-6,9-10,16-18H,7-8,11-13H2,(H2,23,25)/t16-,17+,18+
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| InChIKey |
ZLTQSXAPKBXBCJ-PIIMJCKOSA-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