General Information of the Compound
| Compound ID |
CP0448281
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| Compound Name |
1-[(4aR,8S,8aR)-4-benzyl-8-pyrrolidin-1-yl-2,3,4a,5,6,7,8,8a-octahydroquinoxalin-1-yl]-2-phenylethanone
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| Structure |
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| Formula |
C27H35N3O
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| Molecular Weight |
417.597
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| Canonical SMILES |
O=C(Cc1ccccc1)N1CCN(Cc2ccccc2)[C@@H]2CCC[C@@H]([C@@H]12)N1CCCC1
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| InChI |
InChI=1S/C27H35N3O/c31-26(20-22-10-3-1-4-11-22)30-19-18-29(21-23-12-5-2-6-13-23)25-15-9-14-24(27(25)30)28-16-7-8-17-28/h1-6,10-13,24-25,27H,7-9,14-21H2/t24-,25+,27+/m0/s1
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| InChIKey |
FTILCKRWMSJYSB-ZWEKWIFMSA-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: PT01515, Mu-type opioid receptor