General Information of the Compound
| Compound ID |
CP0860291
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| Compound Name |
21-azapentacyclo[7.6.6.02,7.010,15.016,21]henicosa-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 |
c1ccc2c(c1)C[C@@H]1c3ccccc3[C@H]2[C@@H]2CCCCN12
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| InChI |
InChI=1S/C20H21N/c1-2-8-15-14(7-1)13-19-16-9-3-4-10-17(16)20(15)18-11-5-6-12-21(18)19/h1-4,7-10,18-20H,5-6,11-13H2/t18-,19+,20-/m0/s1
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| InChIKey |
QUGYPNRAYABXBP-ZCNNSNEGSA-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