General Information of the Compound
| Compound ID |
CP0378190
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| Compound Name |
1'-cyclooctylmethyl-1-[3-ethyl(4-methylbenzyl)amino-2-hydroxypropyl]spiro[2,3-dihydro-1H-indole-3,4'-(hexahydropyridine)]-2-one
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| Structure |
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| Formula |
C34H49N3O2
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| Molecular Weight |
531.785
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| Canonical SMILES |
CCN(CC(O)CN1C(=O)C2(CCN(CC3CCCCCCC3)CC2)c2ccccc12)Cc1ccc(C)cc1
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| InChI |
InChI=1S/C34H49N3O2/c1-3-35(23-29-17-15-27(2)16-18-29)25-30(38)26-37-32-14-10-9-13-31(32)34(33(37)39)19-21-36(22-20-34)24-28-11-7-5-4-6-8-12-28/h9-10,13-18,28,30,38H,3-8,11-12,19-26H2,1-2H3
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| InChIKey |
AYCGNXRJKLUATE-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