General Information of the Compound
| Compound ID |
CP0434491
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| Compound Name |
8-[bis(2-chlorophenyl)methyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
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| Structure |
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| Formula |
C26H25Cl2N3O
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| Molecular Weight |
466.412
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| Canonical SMILES |
Clc1ccccc1C(N1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccccc1Cl
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| InChI |
InChI=1S/C26H25Cl2N3O/c27-22-12-6-4-10-20(22)24(21-11-5-7-13-23(21)28)30-16-14-26(15-17-30)25(32)29-18-31(26)19-8-2-1-3-9-19/h1-13,24H,14-18H2,(H,29,32)
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| InChIKey |
VZIPEFHBXCQMEJ-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: PT00983, Kappa-type opioid receptor
Protein ID: PT01515, Mu-type opioid receptor
Protein ID: PT01360, Nociceptin receptor