General Information of the Compound
| Compound ID |
CP0378938
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| Compound Name |
1'-cyclooctylmethyl-1-{2-hydroxy-3-[2-(1,4-oxazinan-4-yl)ethylamino]propyl}spiro[2,3-dihydro-1H-indole-3,4'-(hexahydropyridine)]-2-one
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| Structure |
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| Formula |
C30H48N4O3
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| Molecular Weight |
512.739
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| Canonical SMILES |
OC(CNCCN1CCOCC1)CN1C(=O)C2(CCN(CC3CCCCCCC3)CC2)c2ccccc12
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| InChI |
InChI=1S/C30H48N4O3/c35-26(22-31-14-17-32-18-20-37-21-19-32)24-34-28-11-7-6-10-27(28)30(29(34)36)12-15-33(16-13-30)23-25-8-4-2-1-3-5-9-25/h6-7,10-11,25-26,31,35H,1-5,8-9,12-24H2
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| InChIKey |
RNBJHJNXUGOLGB-UHFFFAOYSA-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