General Information of the Compound
| Compound ID |
CP0846760
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| Compound Name |
17-allyl-16-methyl-17-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2(7),3,5,12,14-pentaene
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| Structure |
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| Formula |
C20H21N
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| Molecular Weight |
275.395
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| Canonical SMILES |
C=CCN1[C@H](C)[C@H]2c3ccccc3C[C@H]1c1ccccc12
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| InChI |
InChI=1S/C20H21N/c1-3-12-21-14(2)20-16-9-5-4-8-15(16)13-19(21)17-10-6-7-11-18(17)20/h3-11,14,19-20H,1,12-13H2,2H3/t14-,19+,20+/m1/s1
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| InChIKey |
JEFFOQXVZFKCOO-UAOJZALGSA-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