General Information of the Compound
| Compound ID |
CP0450477
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| Compound Name |
3-(cyclobutylmethyl)-8-(diphenylmethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
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| Structure |
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| Formula |
C31H35N3O
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| Molecular Weight |
465.641
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| Canonical SMILES |
O=C1N(CC2CCC2)CN(c2ccccc2)C11CCN(CC1)C(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C31H35N3O/c35-30-31(34(28-17-8-3-9-18-28)24-33(30)23-25-11-10-12-25)19-21-32(22-20-31)29(26-13-4-1-5-14-26)27-15-6-2-7-16-27/h1-9,13-18,25,29H,10-12,19-24H2
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| InChIKey |
PBWMYCSTSQYNFL-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: PT01360, Nociceptin receptor