General Information of the Compound
| Compound ID |
CP0846761
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| Compound Name |
1-[16-methyl-17-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2(7),3,5,12,14-pentaen-17-yl]-1-ethanone
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| Structure |
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| Formula |
C19H19NO
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| Molecular Weight |
277.367
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| Canonical SMILES |
CC(=O)N1[C@H](C)[C@H]2c3ccccc3C[C@H]1c1ccccc12
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| InChI |
InChI=1S/C19H19NO/c1-12-19-15-8-4-3-7-14(15)11-18(20(12)13(2)21)16-9-5-6-10-17(16)19/h3-10,12,18-19H,11H2,1-2H3/t12-,18+,19+/m1/s1
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| InChIKey |
IZQTUVHOVNKEDO-HQOQDVMHSA-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