General Information of the Compound
| Compound ID |
CP0432918
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| Compound Name |
(1S,2S,12S,16R,20R)-2-ethyl-15-propyl-9,15-diazapentacyclo[10.7.1.02,10.03,8.016,20]icosa-3,5,7,9-tetraene
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| Structure |
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| Formula |
C23H32N2
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| Molecular Weight |
336.523
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| Canonical SMILES |
CCCN1CC[C@H]2CC3=Nc4ccccc4[C@]3(CC)[C@H]3CCC[C@@H]1[C@H]23
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| InChI |
InChI=1S/C23H32N2/c1-3-13-25-14-12-16-15-21-23(4-2,17-8-5-6-10-19(17)24-21)18-9-7-11-20(25)22(16)18/h5-6,8,10,16,18,20,22H,3-4,7,9,11-15H2,1-2H3/t16-,18-,20+,22+,23+/m0/s1
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| InChIKey |
WTEKHESUHJTGHN-VBEIARHESA-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