General Information of the Compound
| Compound ID |
CP0409534
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| Compound Name |
N,N-diethyl-4-[[(1S,4S,5S)-4-phenyl-8-propyl-6,8-diazabicyclo[3.2.2]nonan-6-yl]methyl]benzamide
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| Structure |
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| Formula |
C28H39N3O
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| Molecular Weight |
433.64
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| Canonical SMILES |
CCCN1C[C@@H]2[C@@H](CC[C@H]1CN2Cc1ccc(cc1)C(=O)N(CC)CC)c1ccccc1
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| InChI |
InChI=1S/C28H39N3O/c1-4-18-30-21-27-26(23-10-8-7-9-11-23)17-16-25(30)20-31(27)19-22-12-14-24(15-13-22)28(32)29(5-2)6-3/h7-15,25-27H,4-6,16-21H2,1-3H3/t25-,26-,27+/m0/s1
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| InChIKey |
YNPJXHDZWVQOGL-GMQQYTKMSA-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