General Information of the Compound
| Compound ID |
CP0458107
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| Compound Name |
(R)-1-(3-(1-(cyclooctylmethyl)piperidin-4-yl)-5-fluoro-1H-indol-1-yl)-3-(dimethylamino)propan-2-ol
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| Structure |
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| Formula |
C27H42FN3O
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| Molecular Weight |
443.651
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| Canonical SMILES |
CN(C)C[C@@H](O)Cn1cc(C2CCN(CC3CCCCCCC3)CC2)c2cc(F)ccc12
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| InChI |
InChI=1S/C27H42FN3O/c1-29(2)18-24(32)19-31-20-26(25-16-23(28)10-11-27(25)31)22-12-14-30(15-13-22)17-21-8-6-4-3-5-7-9-21/h10-11,16,20-22,24,32H,3-9,12-15,17-19H2,1-2H3/t24-/m1/s1
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| InChIKey |
YEOANUDQDGQSQW-XMMPIXPASA-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
Protein ID: PT01360, Nociceptin receptor