General Information of the Compound
| Compound ID |
CP0293776
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| Compound Name |
CHEMBL1224288
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| Formula |
C20H23NO2
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| Molecular Weight |
309.409
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| Canonical SMILES |
Oc1cccc(O[C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c1
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| InChI |
InChI=1S/C20H23NO2/c22-18-7-4-8-19(13-18)23-20-11-16-9-10-17(12-20)21(16)14-15-5-2-1-3-6-15/h1-8,13,16-17,20,22H,9-12,14H2/t16-,17+,20+
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| InChIKey |
UDPCPBBLLQAUIE-YRWFTTLQSA-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