General Information of the Compound
| Compound ID |
CP0417449
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| Compound Name |
8-(diphenylmethyl)-1-phenyl-3-(propan-2-yl)-1,3,8-triazaspiro[4.5]decan-4-one
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| Structure |
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| Formula |
C29H33N3O
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| Molecular Weight |
439.603
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| Canonical SMILES |
CC(C)N1CN(c2ccccc2)C2(CCN(CC2)C(c2ccccc2)c2ccccc2)C1=O
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| InChI |
InChI=1S/C29H33N3O/c1-23(2)31-22-32(26-16-10-5-11-17-26)29(28(31)33)18-20-30(21-19-29)27(24-12-6-3-7-13-24)25-14-8-4-9-15-25/h3-17,23,27H,18-22H2,1-2H3
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| InChIKey |
XUXIHOIDTQZHEK-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